Azelaic acid (nonanedioic acid) [CAS 123-99-9; InChIKey BDJRBEYXGGNYIS-UHFFFAOYSA-N; Reaxys, by Asch

Query Query HO

1. Query O

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172 substances in Reaxys

2016-03-15 06h:19m:32s (EST)

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Reaxys ID 1101094 View in Reaxys

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CAS Registry Number: 123-99-9 Chemical Name: azelaic acid; Azelaic acid Linear Structure Formula: HCO2(CH2)7CO2H Molecular Formula: C9H16O4 Molecular Weight: 188.224 Type of Substance: acyclic InChI Key: BDJRBEYXGGNYIS-UHFFFAOYSA-N Note:

OH O

Substance Label (48) Label References AzA

Tamames-Tabar; Imbuluzqueta; Guillou; Serre; Miller; Elkam; Horcajada; Blanco-Prieto; CrystEngComm; vol. 17; nb. 2; (2015); p. 456 - 462, View in Reaxys; Khairudin, Nurshafira; Basri, Mahiran; Fard Masoumi, Hamid Reza; Sarah Samiun, Wan; Samson, Shazwani; RSC Advances; vol. 5; nb. 115; (2015); p. 94909 94918, View in Reaxys

AZA

Ma, Huixian; Yu, Meng; Tan, Fengping; Li, Nan; RSC Advances; vol. 5; nb. 37; (2015); p. 28985 - 28995, View in Reaxys

Ishmuratov, G. Yu.; Yakovleva; Botsman; Legostaeva, Yu. V.; Nazarov; Baidimirov; Russian Journal of Organic Chemistry; vol. 51; nb. 5; (2015); p. 610 - 614, View in Reaxys

Kreye, Oliver; Meier, Michael A. R.; RSC Advances; vol. 5; nb. 65; (2015); p. 53155 - 53160, View in Reaxys

Lee, Yung-Ping; Kuo, Tzong-Fu; Lee, Shoei-Sheng; Journal of Pharmaceutical and Biomedical Analysis; vol. 111; (2015); p. 311 - 319, View in Reaxys

azelaic acid

Patent; GUILIANI S.P.A.; Giuliani, Giammaria; Benedusi, Anna; Mascolo, Antonio; Marzani, Barbara; Bregaglio, Guido; US2015/196480; (2015); (A1) English, View in Reaxys

C&9%

Mishra, Manish Kumar; Ramamurty, Upadrasta; Desiraju, Gautam R.; Chemistry - An Asian Journal; vol. 10; nb. 10; (2015); p. 2176 - 2181, View in Reaxys

Patent; ARKEMA FRANCE; Brandhorst, Markus; US2015/299107; (2015); (A1) English, View in Reaxys

Janczak, Jan; Crystal Growth and Design; vol. 15; nb. 10; (2015); p. 5097 - 5111, View in Reaxys

Chavan, Snehal A.; Ulhe, Avinash G.; Gharad, Spruha A.; Berad, Baliram N.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 190; nb. 12; (2015); p. 2315 - 2324, View in Reaxys

Katrib, Yasmine; Martin, Scot T.; Hung, Hui-Ming; Rudich, Yinon; Zhang, Haizheng; Slowik, Jay G.; Davidovits, Paul; Jayne, John T.; Worsnop, Douglas R.; Journal of Physical Chemistry A; vol. 108; nb. 32; (2004); p. 6686 - 6695, View in Reaxys; Godard, Anais; De Caro, Pascale; Thiebaud-Roux, Sophie; Vedrenne, Emeline; Mouloungui, Zephirin; JAOCS, Journal of the American Oil Chemists' Society; vol. 90; nb. 1; (2013); p. 133 - 140, View in Reaxys; Kulik, Anna; Martin, Andreas; Pohl, Marga-Martina; Fischer, Christine; Koeckritz, Angela; Green Chemistry; vol. 16; nb. 4; (2014); p. 1799 - 1806, View in Reaxys

Komnatnyy, Vitaly V.; Chiang, Wen-Chi; Tolker-Nielsen, Tim; Givskov, Michael; Nielsen, Thomas E.; Angewandte Chemie - International Edition; vol. 53; nb. 2; (2014); p. 439 - 441; Angew. Chem.; vol. 126; nb. 02; (2014); p. 449 - 451,3, View in Reaxys

27d

Madsen, Andreas S.; Kristensen, Helle M. E.; Lanz, Gyrithe; Olsen, Christian A.; ChemMedChem; vol. 9; nb. 3; (2014); p. 614 - 626, View in Reaxys

6g, n = 7

Kusukawa, Takahiro; Tanaka, Syugo; Inoue, Kouta; Tetrahedron; vol. 70; nb. 26; (2014); p. 4049 - 4056, View in Reaxys

H2aze

Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di; Crystal Growth and Design; vol. 14; nb. 5; (2014); p. 2230 - 2239, View in Reaxys

Saidov; Alimova; Levkovich; Vinogradova; Chemistry of Natural Compounds; vol. 49; nb. 2; (2013); p. 302 - 304; Khim. Prir. Soedin.; vol. 49; nb. 2; (2013); p. 257 - 258,2, View in Reaxys

Schievano, Elisabetta; Morelato, Elisa; Facchin, Chiara; Mammi, Stefano; Journal of Agricultural and Food Chemistry; vol. 61; nb. 8; (2013); p. 1747 - 1755, View in Reaxys

Man, Shuli; Li, Yuanyuan; Fan, Wei; Gao, Wenyuan; Liu, Zhen; Li, Nan; Zhang, Yao; Liu, ChangXiao; International Journal of Pharmaceutics; vol. 454; nb. 1; (2013); p. 296 - 301, View in Reaxys

A28

Aakeroey, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John; CrystEngComm; vol. 14; nb. 18; (2012); p. 5845 - 5853, View in Reaxys

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Zhang, Shi-Jie; Hu, Wei-Xiao; Medicinal Chemistry Research; vol. 21; nb. 10; (2012); p. 3312 - 3320, View in Reaxys

Wang, Haobo; Kawamura, Kimitaka; Ho; Lee; Environmental Science and Technology; vol. 40; nb. 20; (2006); p. 6255 - 6260, View in Reaxys; Zhang, Yuanxun; Schauer, James Jay; Zhang, Yuanhang; Zeng, Limin; Wei, Yongjie; Liu, Yuan; Shao, Min; Environmental Science and Technology; vol. 42; nb. 14; (2008); p. 5068 - 5073, View in Reaxys

Seijas, Julio A.; Vazquez-Tato, M. Pilar; Crecente-Campo, Jose; Tetrahedron; vol. 64; nb. 39; (2008); p. 9280 - 9285, View in Reaxys

Zhang, An-Ling; Zhao; Chen, Hui; Liu, La-Ping; Konishi, Yasuo; Gao, Jin-Ming; Chemistry of Natural Compounds; vol. 43; nb. 3; (2007); p. 349 - 350, View in Reaxys

HOOC-(CH2)7COOH

Li, De-Jiang; Fub, He-Qing; Heterocyclic Communications; vol. 13; nb. 6; (2007); p. 407 - 412, View in Reaxys

Bretti, Clemente; Crea, Francesco; Foti, Claudia; Sammartano, Silvio; Journal of Chemical and Engineering Data; vol. 51; nb. 5; (2006); p. 1660 - 1667, View in Reaxys

Ruan, Hanli; Zhang, Yonghui; Wu, Jizhou; Deng, Shukai; Sun, Handong; Fujita, Tetsuro; Fitoterapia; vol. 73; nb. 4; (2002); p. 288 - 291, View in Reaxys; Albrecht, Markus; Stortz, Patrick; Baumert, Miriam; Synthesis; nb. 2; (2005); p. 211 - 216; Art.No: T09304SS, View in Reaxys

Zimmermann, Francois; Meux, Eric; Mieloszynski, Jean-Luc; Lecuire, Jean-Marie; Oget, Nicolas; Tetrahedron Letters; vol. 46; nb. 18; (2005); p. 3201 - 3203, View in Reaxys

Bureeva, Svetlana V.; Andia-Pravdivy, Julian E.; Bichucher, Anna M.; Orishchenko, Dmitry A.; Kaplun, Alexander P.; Mendeleev Communications; nb. 6; (2005); p. 253 - 256, View in Reaxys

Rendina; Taylor; Gibson; Lorimer; Rayner; Lockett; Kranis; Wexler; Marcovici-Mizrahi; Nudelman; Marsilii; Chi; Wawrzak; Calabrese; Huang; Jia; Schneider; Lindqvist; Yang; Pesticide Science; vol. 55; nb. 3; (1999); p. 236 - 247, View in Reaxys; Kobayashi, Tomoshige; Moriwaki, Takashi; Heterocycles; vol. 62; (2004); p. 399 - 405, View in Reaxys

Lee, Ki Yong; Sung, Sang Hyun; Kim, Young Choong; Helvetica Chimica Acta; vol. 86; nb. 2; (2003); p. 474 - 483, View in Reaxys; Balamraju, Yuvaraju N.; Sun, Mingjiang; Salomon, Robert G.; Journal of the American Chemical Society; vol. 126; nb. 37; (2004); p. 11522 - 11528, View in Reaxys

Sch. 1; dicarb. acid

Patel; Desai; Heterocyclic Communications; vol. 10; nb. 2-3; (2004); p. 203 - 208, View in Reaxys

educt to QC n=7

Achten, Remko; Marcelis, Antonius T.M.; Koudijs, Arie; Sudhoelter, Ernst J.R.; Molecular Crystals and Liquid Crystals; vol. 411; (2004); p. 177/[1219]-184/[1226], View in Reaxys

Charnock, Colin; Brudeli, Bjarne; Klaveness, Jo; European Journal of Pharmaceutical Sciences; vol. 21; nb. 5; (2004); p. 589 - 596, View in Reaxys

COOH-(CH2)7COOH

Garcia, Monica; Del Rio, Xavier; Silvestre, Sandra; Rubiralta, Mario; Lozoya, Estrella; Segarra, Victor; Fernandez, Dolors; Miralpeix, Montserrat; Aparici, Monica; Diez, Anna; Organic and Biomolecular Chemistry; vol. 2; nb. 11; (2004); p. 1633 - 1642, View in Reaxys

Jaoui; Kleindienst; Lewandowski; Edney; Analytical Chemistry; vol. 76; nb. 16; (2004); p. 4765 - 4778, View in Reaxys

HO(O)C(CH2)7(O Ziemann, Paul J.; Journal of Physical Chemistry A; vol. 107; nb. 12; (2003); p. 2048 - 2060, View in Reaxys )OH 19a

Suzuki, Takayoshi; Nagano, Yuki; Matsuura, Azusa; Kohara, Arihiro; Ninomiya, Shin-Ichi; Kohda, Kohfuku; Miyata, Naoki; Bioorganic and Medicinal Chemistry Letters; vol. 13; nb. 24; (2003); p. 4321 - 4326, View in Reaxys

Narasimhan; Kothawade; Pharande; Mourya; Dhake; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 42; nb. 11; (2003); p. 2828 - 2834, View in Reaxys

9DA

Liu, Qin-Tao; Chen, Rachel; McCarry, Brian E.; Diamond, Miriam L.; Bahavar, Bagher; Environmental Science and Technology; vol. 37; nb. 11; (2003); p. 2340 - 2349, View in Reaxys

α,ω-C9

Kavouras, Ilias G.; Stephanou, Euripides G.; Environmental Science and Technology; vol. 36; nb. 23; (2002); p. 5083 - 5091, View in Reaxys

14, Table 7, entry 44

Nagayama; Shimizu; Yamamoto; Bulletin of the Chemical Society of Japan; vol. 74; nb. 10; (2001); p. 1803 - 1815, View in Reaxys

Cotarca, Livius; Delogu, Pietro; Nardelli, Alfonso; Maggioni, Paolo; Bianchini, Roberto; Sguassero, Stefano; Alini, Stefano; Dario, Roberto; Clauti, Giuliano; Pitta, Giorgio; Duse, Gianpaolo; Goffredi, Fabrizio; Organic Process Research and Development; vol. 5; nb. 1; (2001); p. 69 - 76, View in Reaxys

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HOOC(CH2)7CO OH

Ribeiro Da Silva, Manuel A. V.; Monte, Manuel J. S.; Ribeiro, Jose R.; Journal of Chemical Thermodynamics; vol. 31; nb. 8; (1999); p. 1093 - 1107, View in Reaxys; Petrenko; Petukhova; Shakirov; Shul'ts; Tolstikov; Russian Journal of Organic Chemistry; vol. 36; nb. 7; (2000); p. 982 - 995, View in Reaxys

Iso, Yasuyoshi; Shindo, Hirohisa; Hamana, Hiroshi; Tetrahedron; vol. 56; nb. 30; (2000); p. 5353 - 5361, View in Reaxys

aza

De Stefano, Concetta; Gianguzza, Antonio; Piazzese, Daniela; Journal of Chemical and Engineering Data; vol. 45; nb. 1; (2000); p. 15 - 19, View in Reaxys; De Robertis, Alessandro; De Stefano, Concetta; Foti, Claudia; Gianguzza, Antonio; Piazzese, Daniela; Sammartano, Silvio; Journal of Chemical and Engineering Data; vol. 45; nb. 6; (2000); p. 996 - 1000, View in Reaxys; Cascio, Stefania; De Robertis, Alessandro; De Stefano, Concetta; Foti, Claudia; Gianguzza, Antonio; Sammartano, Silvio; Journal of Chemical and Engineering Data; vol. 45; nb. 5; (2000); p. 717 - 723, View in Reaxys

Smushkevich, Y. I.; Smushkevich, V. Y.; Usorov, M. I.; Journal of Chemical Research, Miniprint; nb. 7; (1999); p. 1727 - 1736, View in Reaxys

Andreozzi; Longo; Majone; Modesti; Water Research; vol. 32; nb. 8; (1998); p. 2357 - 2364, View in Reaxys

azelate

Nagai; Takano; Hirozane; Yasuhara; Inui; Journal of Pharmacology and Experimental Therapeutics; vol. 274; nb. 3; (1995); p. 1161 - 1166, View in Reaxys

Patent-Specific Data (8) Prophetic ComLocation in Patent References pound Page/Page column

Patent; UNIVERSITE CLAUDE BERNARD LYON I; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; Lemaire, Marc; Favre-Reguillon, Alain; Paquit, Bénédicte; Claude, Sylvain; Raoul, Yann; US2013/131379; (2013); (A1) English, View in Reaxys; Patent; VYOME BIOSCIENCES; Bapat, Abhijit S.; Mahesh, Gauthami; Gokhale, Rajesh S.; Shah, Sayali S.; Sengupta, Shiladitya; Prasad, Sudhanand; Ghosh, Sumana; Chawrai, Suresh R.; Arora, Nidhi; Reddy, D. Sreedhar; Mishra, Malika; Bajaj, Kirti; US2014/364595; (2014); (A1) English, View in Reaxys Patent; INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE; INSTITUT NATIONAL POLYTECHNIQUE DE TOULOUSE; Godard, Anaïs; Thiebaud Roux, Sophie; De Caro, Pascale; Vedrenne, Emeline; Mouloungui, Zéphirin; US2014/371487; (2014); (A1) English, View in Reaxys Patent; CORUM INC.; US2011/65954; (2011); (A1) English, View in Reaxys Patent; Corum Inc.; EP2295403; (2011); (A1) English, View in Reaxys

prophetic product

Patent; The Procter and Gamble Company; US6338855; (2002); (B1) English, View in Reaxys; Patent; Ciba-Geigy Corporation; US4116933; (1978); (A1) English, View in Reaxys; Patent; Texaco Inc.; US4973732; (1990); (A1) English, View in Reaxys; Patent; Texaco Inc.; US4973733; (1990); (A1) English, View in Reaxys; Patent; Bayer Aktiengesellschaft; US5074884; (1991); (A1) English, View in Reaxys; Patent; Yu, Ruey J.; Van Scott, Eugene J.; US6335023; (2002); (B1) English, View in Reaxys; Patent; National Institute of Advanced Industrial Science and Technology; EP1544190; (2005); (A1) English, View in Reaxys; Patent; Lemaire, Marc; Saluzzo, Christine; Berthod, Mikael; US2007/10695; (2007); (A1) English, View in Reaxys Patent; THE UNIVERSITY OF MARYLAND, BALTIMORE; WO2007/64784; (2007); (A1) English, View in Reaxys

prophetic catalyst

Patent; Rhodia Chimie; US6753441; (2004); (B1) English, View in Reaxys

prophetic catalyst

Patent; Daicel Chemical Industries, Ltd.; US6346651; (2002); (B1) English, View in Reaxys

Related Structure (1) References Housty; Bulletin de la Societe Chimique de France; (1967); p. 273, View in Reaxys Derivative (22) Comment (Deriva- References tive) By formation of compound with BF3-methanol

Richardson, Susan D.; Thruston Jr., Alfred D.; Caughran, Tashia V.; Chen, Paul H.; Collette, Timothy W.; Floyd, Terrance L.; Schenck, Kathleen M.; Lykins Jr., Benjamin W.; Sun, Guang-Ri; Majetich, George; Environmental Science and Technology; vol. 33; nb. 19; (1999); p. 3368 - 3377, View in Reaxys

Na+ - Salz, Adsorptionsenergie

Chattoraj; Journal of the Indian Chemical Society; vol. 56; (1979); p. 1065,1067, View in Reaxys

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an der Oel-Wasser-Grenzflaeche Mononatriumsalz: Konishi et al.; Nippon Kagaku Kaishi; (1977); p. 752,754, View in Reaxys Temperatur beim Uebergang zu Intermediate, F Na-Salz: Rk. m. <Co(en)2(OH) (OH2)>2+: Geschw.-konst.

Chan; Choi; Journal of Inorganic and Nuclear Chemistry; vol. 38; (1976); p. 1949, View in Reaxys

1:1-Addukt mit Lenne,H.-U. et al.; Justus Liebigs Annalen der Chemie; vol. 732; (1970); p. 70 - 96, View in Reaxys Harnstoff: F: 81.7-95.6grad; 1:2-Addukt: F: 87-102grad; beanspruchte Laenge im Harnstoff-EinschlussKanal (hexagonales Addukt) Ca-Salz: Zers.temp.

Meisel; Erdey; Journal of Thermal Analysis; vol. 1; (1969); p. 159,163, View in Reaxys

Mono-Na-Salz: DTA, DTG

Meisel; Erdey; Journal of Thermal Analysis; vol. 1; (1969); p. 159,163, View in Reaxys

Di-Na-Salz: Zers.temp.

Meisel; Erdey; Journal of Thermal Analysis; vol. 1; (1969); p. 159,163, View in Reaxys

Hg(OOC(CH2)7C OO). C. Rk. m. UV/Bzl. Rk. m. Acetylperoxid/ Bzl.. Prod'verteilung

Ol'dekop et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 39; (1969); p. 1110,1080,1082, View in Reaxys

Monoester: Rk. m. Klenberg; Arkiv foer Kemi; vol. 29; (1968); p. 23, View in Reaxys γ-Linolensaeure > cis-Pentacosa-13.16.19-triensaeure Einschlussverb. Farina et al.; Journal of the American Chemical Society; vol. 86; (1964); p. 516, View in Reaxys m. trans-antitrans-anti-transPerhydro-triphenylen: F.: 154grad Dinatriumsalz: Rk. Maerker et al.; Journal of Organic Chemistry; vol. 26; (1961); p. 2681,2686, View in Reaxys d. wss. Lsg. m. Epichlorhydrin, Trimethylbenzylammoniumchlorid liefert Diglycidyl-azelat u.a.Verb. Bis-(4-brom-phenacylester): F.: 129-130.5grad

Smith,C.R. et al.; Journal of Organic Chemistry; vol. 25; (1960); p. 218 - 222, View in Reaxys

auch als NH4Salz (papierchromatograph. isoliert)

Howe; Journal of Chromatography; vol. 3; (1960); p. 389,390-405; Chem.Abstr.; vol. 55; nb. 7267; (1961), View in Reaxys

Dikaliumsalz K2C9H14O4: IRSp. (2-15 μ)

Pasero et al.; Bulletin de la Societe Chimique de France; (1960); p. 1722, View in Reaxys

as the bis-<4-phe- Vioque; de la Maza; Grasas,Aceites; vol. 8; (1957); p. 19, View in Reaxys nylazo-phenacyl

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ester> (mp: 166-167.5 degree ) as the bis-<4-bro- Asahara; Tomita; J.Oil Chemists Soc.Japan; vol. 2; (1953); p. 105,107; Chem.Abstr.; (1954); p. 11341, mo-phenacyl es- View in Reaxys ter> (mp: 133 degree to 135 degree ) neutral S-benzyl- Veibel; Ottung; Bulletin de la Societe Chimique de France; vol. <5> 6; (1939); p. 1434, View in Reaxys; thiuronium salt Claesson; Arkiv foer Kemi; vol. 23A; nb. 1; (1947); p. 99,103, View in Reaxys (mp: 163-164 degree ); Further Data see Handbook (Adsorption) disodium salt; Fur- Warburg; C. r. Trav. Carlsberg; vol. 22; p. 551; Chem. Zentralbl.; vol. 109; nb. II; (1938); p. 1015, ther Data see View in Reaxys Handbook (Calorific data) as bis-<4-phenylphenacyl ester> mp: 145-146 degree

Roland; McElvain; Journal of the American Chemical Society; vol. 59; (1937); p. 134, View in Reaxys

compound with Sobotka; Goldberg; Biochemical Journal; vol. 26; (1932); p. 555,567, View in Reaxys deoxycholic acid (mp: 172 degree ); Further Data see Handbook aluminium salt; Further Data see Handbook (Solubility)

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys

Purification (1) References Dietrich et al.; Journal fuer Praktische Chemie (Leipzig); vol. 30; (1965); p. 158, View in Reaxys Melting Point (41) 1 of 41

Melting Point [°C]

106.5

Mishra, Manish Kumar; Ramamurty, Upadrasta; Desiraju, Gautam R.; Chemistry - An Asian Journal; vol. 10; nb. 10; (2015); p. 2176 - 2181, View in Reaxys 2 of 41

Melting Point [°C]

107.14

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 3 of 41

Melting Point [°C]

177 - 178

Castellucci, Nicola; Sartor, Giorgio; Calonghi, Natalia; Parolin, Carola; Falini, Giuseppe; Tomasini, Claudia; Beilstein Journal of Organic Chemistry; vol. 9; (2013); p. 417 - 424, View in Reaxys 4 of 41

Melting Point [°C]

106.5

Solvent (Melting Point)

acetone

Location

supporting information

Mishra, Manish Kumar; Varughese, Sunil; Ramamurty, Upadrasta; Desiraju, Gautam R.; Journal of the American Chemical Society; vol. 135; nb. 22; (2013); p. 8121 - 8124, View in Reaxys 5 of 41

Melting Point [°C]

107

Location

Paragraph 0080

Melting Point [°C]

102.45

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Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 7 of 41

Melting Point [°C]

103 - 105

Patent; Gutsche, Bernhard; Franzen, Stefan; Kloeker, Markus; US2007/276165; (2007); (A1) English, View in Reaxys; Dietrich et al.; Journal fuer Praktische Chemie (Leipzig); vol. 30; (1965); p. 158, View in Reaxys 8 of 41

Melting Point [°C]

106 - 107

Zhang, An-Ling; Zhao; Chen, Hui; Liu, La-Ping; Konishi, Yasuo; Gao, Jin-Ming; Chemistry of Natural Compounds; vol. 43; nb. 3; (2007); p. 349 - 350, View in Reaxys 9 of 41

Melting Point [°C]

99.25

Roux, Maria Victoria; Temprado, Manuel; Chickos, James S.; Journal of Chemical Thermodynamics; vol. 37; nb. 9; (2005); p. 941 - 953, View in Reaxys 10 of 41

Melting Point [°C]

106

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 1549, View in Reaxys; Cingolani et al.; Journal of Chemical Thermodynamics; vol. 6; (1974); p. 1191,1192, View in Reaxys; Patent; Degussa; DE2106913; (1971); Chem.Abstr.; vol. 77; nb. 151493, View in Reaxys; Patent; Degussa; DE2035558; (1970); Chem.Abstr.; vol. 76; nb. 72034; (1972), View in Reaxys; Narasimhan; Kothawade; Pharande; Mourya; Dhake; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 42; nb. 11; (2003); p. 2828 - 2834, View in Reaxys 11 of 41

Melting Point [°C]

107 - 108

Solvent (Melting Point)

water

Melting Point [°C]

106.34

Thalladi, Venkat R.; Nuesse, Markus; Boese, Roland; Journal of the American Chemical Society; vol. 122; nb. 38; (2000); p. 9227 - 9236, View in Reaxys 13 of 41

Melting Point [°C]

107 - 108

Solvent (Melting Point)

H2O

Cotarca; Delogu; Maggioni; Nardelli; Bianchini; Sguassero; Synthesis; nb. 3; (1997); p. 328 - 332, View in Reaxys 14 of 41

Melting Point [°C]

106 - 107

Huenig; Lendle; Chemische Berichte; vol. 93; (1960); p. 913,919, View in Reaxys; Hosamani, Kallappa M.; Journal of the American Oil Chemists' Society; vol. 72; nb. 4; (1995); p. 489 - 492, View in Reaxys 15 of 41

Melting Point [°C]

105.85

Kresse, H.; Szulzewsky, I.; Diele, S.; Paschke, R.; Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals; vol. 238; (1994); p. 13 - 20, View in Reaxys 16 of 41

Melting Point [°C]

106.5

Harries; Thieme; Justus Liebigs Annalen der Chemie; vol. 343; (1905); p. 357; Chemische Berichte; vol. 39; (1906); p. 2844, View in Reaxys; Ogino et al.; Agricultural and Biological Chemistry; vol. 29; (1965); p. 1009,1011, View in Reaxys; Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 7; (1980); p. 634 - 640, View in Reaxys; Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 6; (1980); p. 516 - 519, View in Reaxys 17 of 41

Patent; Yur'ev et al.; SU330154; (1972); Ref. Zh., Khim.; vol. 23; nb. N46P; (1972), View in Reaxys

18 of 41

Melting Point [°C]

105 - 106

Seshadri,T.R. et al.; Indian Journal of Chemistry; vol. 9; (1971); p. 524 - 527, View in Reaxys; Patent; DEGUSSA; DE2052815; (1970); Chem.Abstr.; vol. 77; nb. 33963, View in Reaxys 19 of 41

Melting Point [°C]

102 - 104

Ansell,M.F. et al.; Journal of the Chemical Society [Section] C: Organic; vol. <C>; (1971); p. 1840 - 1846, View in Reaxys 20 of 41

Melting Point [°C]

105.5 - 106

Solvent (Melting Point)

H2O

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Ninomiya; Toei; Nippon Kagaku Zasshi; vol. 90; (1969); p. 655,656, View in Reaxys 21 of 41

Melting Point [°C]

104 - 107

Simolin et al.; Chemistry of Natural Compounds; vol. 5; (1969); p. 139,142; Khimiya Prirodnykh Soedinenii; vol. 5; (1969); p. 163, View in Reaxys 22 of 41

Melting Point [°C]

91 - 97

Solvent (Melting Point)

acetone

Ogawa,H.; Natori,S.; Chemical and Pharmaceutical Bulletin; vol. 16; (1968); p. 1709 - 1720, View in Reaxys 23 of 41

Melting Point [°C]

104.5 - 106

Solvent (Melting Point)

diethyl ether

Applewhite,T.H. et al.; Journal of Organic Chemistry; vol. 31; (1966); p. 3407 - 3409, View in Reaxys 24 of 41

Melting Point [°C]

105 - 106.5

Dietrich et al.; Journal fuer Praktische Chemie (Leipzig); vol. 30; (1965); p. 158, View in Reaxys 25 of 41

Melting Point [°C]

105 - 106

Solvent (Melting Point)

H2O

Gensler,W.J.; Abrahams,C.B.; Journal of Organic Chemistry; vol. 26; (1961); p. 249 - 250, View in Reaxys; Zakharkin,L.I.; Zhigareva,G.G.; Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation); (1965); p. 1465 - 1467; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya; nb. 8; (1965); p. 1497 1499, View in Reaxys 26 of 41

Melting Point [°C]

105

Koester,R.; Rotermund,G.W.; Justus Liebigs Annalen der Chemie; vol. 689; (1965); p. 40 - 64, View in Reaxys 27 of 41

Melting Point [°C]

104 - 106

Solvent (Melting Point)

H2O

Kircher; Journal of Organic Chemistry; vol. 29; (1964); p. 3658,3660, View in Reaxys 28 of 41

Melting Point [°C]

106.5 - 107

Solvent (Melting Point)

petroleum ether; ethyl acetate

Mikolajczak,K.L. et al.; Journal of Organic Chemistry; vol. 29; (1964); p. 318 - 322, View in Reaxys 29 of 41

Melting Point [°C]

105 - 105.5

Patent; Baschkirow et al.; SU165444; (1963); Chem.Abstr.; vol. 62; nb. 6397; (1965), View in Reaxys 30 of 41

Melting Point [°C]

105.5 - 106.5

Solvent (Melting Point)

H2O

Prelog,V. et al.; Helvetica Chimica Acta; vol. 45; (1962); p. 1658 - 1671, View in Reaxys 31 of 41

Melting Point [°C]

107

Solvent (Melting Point)

H2O

Minisci,F.; Pallini,U.; Gazzetta Chimica Italiana; vol. 91; (1961); p. 1030 - 1036, View in Reaxys 32 of 41

Melting Point [°C]

105.3 - 107.3

Solvent (Melting Point)

H2O

Maerker et al.; Journal of Organic Chemistry; vol. 26; (1961); p. 2681,2686, View in Reaxys 33 of 41

Melting Point [°C]

104 - 106

Smith,C.R. et al.; Journal of Organic Chemistry; vol. 26; (1961); p. 2903 - 2905, View in Reaxys 34 of 41

Melting Point [°C]

104.5 - 105

Solvent (Melting Point)

benzene

McInnes et al.; Canadian Journal of Chemistry; vol. 39; (1961); p. 1906,1910, View in Reaxys 35 of 41

Melting Point [°C]

106 - 107

Solvent (Melting Point)

H2O

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Korshak,V.V. et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 30; (1960); p. 907 - 912,922 - 926, View in Reaxys 36 of 41

Melting Point [°C]

105 - 106

Solvent (Melting Point)

petroleum ether; CHCl3

Smith,C.R. et al.; Journal of Organic Chemistry; vol. 25; (1960); p. 218 - 222, View in Reaxys 37 of 41

Melting Point [°C]

107

Vogel; Journal of the Chemical Society; (1928); p. 2025, View in Reaxys; Normand; Ross; Henderson; Journal of the Chemical Society; (1926); p. 2633; Pr. roy. Soc. Edinburgh; vol. 47; p. 72; Chem. Zentralbl.; vol. 98; nb. II; (1927); p. 1328, View in Reaxys 38 of 41

Melting Point [°C]

107 - 108

Verkade; Hartman; Coops; Recueil des Travaux Chimiques des Pays-Bas; vol. 45; (1926); p. 379; Verslag van de Gewone Vergadering van de Afdeling Natuurkunde, Koninklijke Nederlandse Akademie van Wetenschappen; vol. 33; p. 767; Chem. Zentralbl.; vol. 96; nb. I; (1925); p. 1281, View in Reaxys 39 of 41

Melting Point [°C]

109

Vercruysse; Bulletin des Societes Chimiques Belges; vol. 32; (1923); p. 153; Chem. Zentralbl.; vol. 94; nb. III; (1923); p. 1452, View in Reaxys 40 of 41

Melting Point [°C]

107.5

Franke; Liebermann; Monatshefte fuer Chemie; vol. 43; (1922); p. 590, View in Reaxys 41 of 41

Melting Point [°C]

106.2

Massol; Bulletin de la Societe Chimique de France; vol. <3>19; (1898); p. 302, View in Reaxys Boiling Point (6) Boiling Point [°C]

Pressure (Boiling Point) [Torr]

24.84

References Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

286.5

100

Krafft; Noerdlinger; Chemische Berichte; vol. 22; (1889); p. 816, View in Reaxys

265

Krafft; Noerdlinger; Chemische Berichte; vol. 22; (1889); p. 816, View in Reaxys

237

Krafft; Noerdlinger; Chemische Berichte; vol. 22; (1889); p. 816, View in Reaxys

225.5

Krafft; Noerdlinger; Chemische Berichte; vol. 22; (1889); p. 816, View in Reaxys Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys

Refractive Index (3) Refractive Index Wavelength (Refractive Index) [nm]

Temperature (Re- References fractive Index) [°C]

1.42807

656.3

110.6

Eikman; Chem. Zentralbl.; vol. 82; nb. II; (1911); p. 1030, View in Reaxys

1.42808

656.3

107.3

Eijkman; Recueil des Travaux Chimiques des Pays-Bas; vol. 12; (1893); p. 273; Recueil des Travaux Chimiques des Pays-Bas; vol. 14; (1895); p. 189, View in Reaxys

1.43554

486.1

107.3

Eijkman; Recueil des Travaux Chimiques des Pays-Bas; vol. 12; (1893); p. 273; Recueil des Travaux Chimiques des Pays-Bas; vol. 14; (1895); p. 189, View in Reaxys

Density (13) 1 of 13

Density [g·cm-3]

1.297

Measurement Tempera- -123.16 ture [°C] Type (Density)

crystallographic

Mishra, Manish Kumar; Ramamurty, Upadrasta; Desiraju, Gautam R.; Chemistry - An Asian Journal; vol. 10; nb. 10; (2015); p. 2176 - 2181, View in Reaxys 2 of 13

Density [g·cm-3]

1.3

Measurement Tempera- -123.16 ture [°C]

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Type (Density)

crystallographic

Location

supporting information

Mishra, Manish Kumar; Varughese, Sunil; Ramamurty, Upadrasta; Desiraju, Gautam R.; Journal of the American Chemical Society; vol. 135; nb. 22; (2013); p. 8121 - 8124, View in Reaxys 3 of 13

Density [g·cm-3]

1.303

Measurement Tempera- -143.16 ture [°C] Type (Density)

crystallographic

Thalladi, Venkat R.; Nuesse, Markus; Boese, Roland; Journal of the American Chemical Society; vol. 122; nb. 38; (2000); p. 9227 - 9236, View in Reaxys 4 of 13

Density [g·cm-3]

1.251

Measurement Tempera- 24.84 ture [°C] Type (Density)

crystallographic

Thalladi, Venkat R.; Nuesse, Markus; Boese, Roland; Journal of the American Chemical Society; vol. 122; nb. 38; (2000); p. 9227 - 9236, View in Reaxys 5 of 13

Density [g·cm-3]

1.224

Measurement Tempera- 24.84 ture [°C] Type (Density)

crystallographic

Thalladi, Venkat R.; Nuesse, Markus; Boese, Roland; Journal of the American Chemical Society; vol. 122; nb. 38; (2000); p. 9227 - 9236, View in Reaxys 6 of 13

Density [g·cm-3]

1.0031 - 1.0338

Measurement Tempera- 105 - 150 ture [°C] Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 7; (1980); p. 634 - 640, View in Reaxys 7 of 13

Density [g·cm-3]

1.0333

Measurement Tempera- 106.5 ture [°C] Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 6; (1980); p. 516 - 519, View in Reaxys 8 of 13

Density [g·cm-3]

1.16

Measurement Tempera- 35 ture [°C] Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 6; (1980); p. 516 - 519, View in Reaxys 9 of 13

Type (Density)

crystallographic

Housty; Hospital; Acta Crystallographica; vol. 22; (1967); p. 288, View in Reaxys 10 of 13

Density [g·cm-3]

1.292

Reference Temperature [°C]

Measurement Tempera- 21 ture [°C] Breusch; Ulusoy; Fette, Seifen, Anstrichmittel; vol. 66; (1964); p. 739,740-742; Chem.Abstr.; vol. 62; nb. 7628; (1965), View in Reaxys 11 of 13

Density [g·cm-3]

1.225

Reference Temperature [°C]

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Measurement Tempera- 25 ture [°C] Biltz; Balz; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 339, View in Reaxys 12 of 13

Density [g·cm-3]

1.0291

Measurement Tempera- 110.6 ture [°C] Eikman; Chem. Zentralbl.; vol. 82; nb. II; (1911); p. 1030, View in Reaxys 13 of 13

Density [g·cm-3]

1.0287

Eijkman; Recueil des Travaux Chimiques des Pays-Bas; vol. 12; (1893); p. 273; Recueil des Travaux Chimiques des Pays-Bas; vol. 14; (1895); p. 189, View in Reaxys Adsorption (MCS) (7) 1 of 7

Description (Adsorption (MCS))

Adsorption

Partner (Adsorption (MCS))

water, air

Bleys, G.; Joos, P.; Journal of Physical Chemistry; vol. 89; nb. 6; (1985); p. 1027 - 1032, View in Reaxys 2 of 7

Description (Adsorption (MCS))

Desorption

Partner (Adsorption (MCS))

water, air

Bleys, G.; Joos, P.; Journal of Physical Chemistry; vol. 89; nb. 6; (1985); p. 1027 - 1032, View in Reaxys 3 of 7

Description (Adsorption (MCS))

Enthalpy of adsorption

Chattoraj; Journal of the Indian Chemical Society; vol. 56; (1979); p. 1065,1067, View in Reaxys 4 of 7

Description (Adsorption (MCS))

Adsorption

Proskuryakov et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 40; (1967); p. 109,94,95-96, View in Reaxys; Wheeler et al.; Journal of the American Oil Chemists' Society; vol. 48; (1971); p. 125, View in Reaxys 5 of 7

Description (Adsorption (MCS))

Adsorption isotherm

Proskuryakov et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 39; (1966); p. 2731,2562, View in Reaxys 6 of 7

Description (Adsorption (MCS))

Adsorption

Solvent (Adsorption (MCS))

H2O

Partner (Adsorption (MCS))

platinum black

Platonow; Borgman; Ssalman; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 62; (1930); p. 1982; Chem. Zentralbl.; vol. 102; nb. II; (1931); p. 2438, View in Reaxys 7 of 7

Description (Adsorption (MCS))

Adsorption

Comment (Adsorption (MCS))

Adsorption aus waessr. Loesung durch Tierkohle.

Schilow; Nekrassow; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 130; (1927); p. 70; Zhurnal Russkago Fiziko-Khimicheskago Obshchestva; vol. 60; (1928); p. 110, View in Reaxys Association (MCS) (21) 1 of 21

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

methanol

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Partner (Association (MCS))

2-aminopyrazine

Aakeroey, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John; CrystEngComm; vol. 14; nb. 18; (2012); p. 5845 - 5853, View in Reaxys 2 of 21

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

methanol

Partner (Association (MCS))

2-Amino-5-bromopyrazine

Aakeroey, Christer B.; Chopade, Prashant D.; Ganser, Claudia; Rajbanshi, Arbin; Desper, John; CrystEngComm; vol. 14; nb. 18; (2012); p. 5845 - 5853, View in Reaxys 3 of 21

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

CDCl3; dimethylsulfoxide-d6

Temperature (Association (MCS)) [°C]

24.85

Partner (Association (MCS))

2,7-bis[(6-methylpyridin-2-yl)aminomethyl]-5H,10H-4,9-methanodithieno[3,2-b;3',2'-f] [1,5]diazocine

Kobayashi, Tomoshige; Moriwaki, Takashi; Heterocycles; vol. 62; (2004); p. 399 - 405, View in Reaxys 4 of 21

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

aq. HCl

Temperature (Association (MCS)) [°C]

24.85

Partner (Association (MCS))

1,7-Heptanediol

Castronuovo; Elia; Niccoli; Velleca; Physical Chemistry Chemical Physics; vol. 3; nb. 12; (2001); p. 2488 - 2492, View in Reaxys 5 of 21

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

NaCl

De Stefano, Concetta; Gianguzza, Antonio; Piazzese, Daniela; Journal of Chemical and Engineering Data; vol. 45; nb. 1; (2000); p. 15 - 19, View in Reaxys 6 of 21

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

NaCl, CaCl2

De Stefano, Concetta; Gianguzza, Antonio; Piazzese, Daniela; Journal of Chemical and Engineering Data; vol. 45; nb. 1; (2000); p. 15 - 19, View in Reaxys 7 of 21

Description (Association Stability constant of the complex with ... (MCS))

12/239

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Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

NaCl, MgCl2

De Stefano, Concetta; Gianguzza, Antonio; Piazzese, Daniela; Journal of Chemical and Engineering Data; vol. 45; nb. 1; (2000); p. 15 - 19, View in Reaxys 8 of 21

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

N-(3-aminopropyl)-1,3-diaminopropane

Cascio, Stefania; De Robertis, Alessandro; De Stefano, Concetta; Foti, Claudia; Gianguzza, Antonio; Sammartano, Silvio; Journal of Chemical and Engineering Data; vol. 45; nb. 5; (2000); p. 717 - 723, View in Reaxys 9 of 21

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

1,8,15-triazapentadecane

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

4-aminomethyl-1,8-diamino octane

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

N,N',N''-trimethylbis(hexamethylene)triamine

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O

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Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

3,3'-Diamino-N-methyldipropylamine

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

1,1,4,7,7-pentamethyldiethylenetriamine

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

tren

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

1,1,4,7,10,10-Hexamethyltriethylenetetramine

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

octan-1-ol; aq. phosphate buffer

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

[14C]-Erythromycin

Matschiner; Neubert; Wohlrab; Skin Pharmacology; vol. 8; nb. 6; (1995); p. 319 - 325, View in Reaxys 17 of 21

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

aq. phosphate buffer; octan-1-ol

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

[14C]-Erythromycin

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Matschiner; Neubert; Wohlrab; Skin Pharmacology; vol. 8; nb. 6; (1995); p. 319 - 325, View in Reaxys 18 of 21

Description (Association Enthalpy of association (MCS)) Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

15 - 35

Partner (Association (MCS))

alpha-cyclodextrin

Gomez-Orellana, Isabel; Hallen, Dan; Stoedeman, Magnus; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 22; (1994); p. 3397 - 3400, View in Reaxys 19 of 21

Description (Association Further physical properties of the complex (MCS)) Solvent (Association (MCS))

various solvent(s)

Temperature (Association (MCS)) [°C]

15 - 35

Partner (Association (MCS))

alpha-cyclodextrin

Gomez-Orellana, Isabel; Hallen, Dan; Stoedeman, Magnus; Journal of the Chemical Society, Faraday Transactions; vol. 90; nb. 22; (1994); p. 3397 - 3400, View in Reaxys 20 of 21

Description (Association Stability constant of the complex with ... (MCS)) Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

C57H72N8

Lehn, Jean-Marie; Meric, Robert; Vigneron, Jean-Pierre; Bkouche-Waksman, I.; Pascard, Claudine; Journal of the Chemical Society, Chemical Communications; nb. 2; (1991); p. 62 - 64, View in Reaxys 21 of 21

Description (Association Association with compound (MCS)) Rudenko; Busurina; J. Gen. Chem. USSR (Engl. Transl.); vol. 46; (1976); p. 650,649, View in Reaxys

Boundary Surface Phenomena (MCS) (4) 1 of 4

Description (Boundary Surface Phenomena (MCS))

Surface tension

Partner (Boundary Sur- air, water face Phenomena (MCS)) Bleys, G.; Joos, P.; Journal of Physical Chemistry; vol. 89; nb. 6; (1985); p. 1027 - 1032, View in Reaxys 2 of 4

Description (Boundary Surface Phenomena (MCS))

Interfacial tension

Partner (Boundary Sur- water face Phenomena (MCS)) Joos, P.; Bleys, G.; Petre, G.; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 79; nb. 4; (1982); p. 387 - 394, View in Reaxys 3 of 4

Description (Boundary Surface Phenomena (MCS))

Surface potential

15/239

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Comment (Boundary Surface Phenomena (MCS))

von Loesungen in wss.Salzsaeure.

Isemura; Hotta; Bulletin of the Chemical Society of Japan; vol. 23; (1950); p. 193,194, View in Reaxys 4 of 4

Description (Boundary Surface Phenomena (MCS))

Surface tension

Solvent (Boundary Sur- H2O face Phenomena (MCS)) Temperature (Boundary Surface Phenomena (MCS)) [°C]

Tamamushi; Bulletin of the Chemical Society of Japan; vol. 7; (1932); p. 170, View in Reaxys Chromatographic Data (3) Chromatographic Location data

References

GC (Gas chromatography)

Man, Shuli; Li, Yuanyuan; Fan, Wei; Gao, Wenyuan; Liu, Zhen; Li, Nan; Zhang, Yao; Liu, ChangXiao; International Journal of Pharmaceutics; vol. 454; nb. 1; (2013); p. 296 301, View in Reaxys; Ertas, Abdulselam; Boga, Mehmet; Hasimi, Nesrin; Yesil, Yeter; Goeren, Ahmet Ceyhan; Topcu, Guelacti; Kolak, Ufuk; Turkish Journal of Chemistry; vol. 38; nb. 4; (2014); p. 592 - 599, View in Reaxys; Klavina, Laura; Springe, Gunta; Nikolajeva, Vizma; Martsinkevich, Illia; Nakurte, Ilva; Dzabijeva, Diana; Steinberga, Iveta; Molecules; vol. 20; nb. 9; (2015); p. 17221 - 17243, View in Reaxys

HPLC (High performance liquid chromatography)

Lee, Yung-Ping; Kuo, Tzong-Fu; Lee, Shoei-Sheng; Journal of Pharmaceutical and Biomedical Analysis; vol. 111; (2015); p. 311 - 319, View in Reaxys; Mekky, Reham Hassan; Contreras, Mara Del Mar; El-Gindi, Mohamed Roshdi; Abdel-Monem, Azza R.; AbdelSattar, Essam; Segura-Carretero, Antonio; RSC Advances; vol. 5; nb. 23; (2015); p. 17751 - 17767, View in Reaxys

LC (Liquid chromatography)

supporting information

Compressibility (1) Description (Com- References pressibility) Isothermal compressibility

Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 6; (1980); p. 516 - 519, View in Reaxys

Conformation (2) Object of Investi- References gation Conformation

Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.; Crystal Growth and Design; vol. 13; nb. 8; (2013); p. 3651 - 3656, View in Reaxys

Conformation

Takasuka, Mamoru; Ezumi, Kiyoshi; Yamakawa, Masumi; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 1; (1992); p. 29 - 33, View in Reaxys; Fukushima, Kunio; Watanabe, Toshiaki; Umemura, Matome; Journal of Molecular Structure; vol. 146; (1986); p. 61 - 70, View in Reaxys

Critical Pressure (1) Critical Pressure References [Torr] 20401.6

Nikitin, Eugene D.; Popov, Alexander P.; Bogatishcheva, Nataliya S.; Yatluk, Yuri G.; Journal of Chemical and Engineering Data; vol. 49; nb. 6; (2004); p. 1515 - 1520, View in Reaxys

Critical Temperature (2) Critical Tempera- References ture [°C] 570.85

Nikitin, Eugene D.; Popov, Alexander P.; Bogatishcheva, Nataliya S.; Yatluk, Yuri G.; Journal of Chemical and Engineering Data; vol. 49; nb. 6; (2004); p. 1515 - 1520, View in Reaxys Cingolani et al.; Journal of Chemical Thermodynamics; vol. 6; (1974); p. 1191,1192, View in Reaxys

Crystal Phase (15)

16/239

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Description (Crys- Temperature tal Phase) (Crystal Phase) [°C]

Location

Comment (Crystal References Phase)

Interplanar spacing

Radell et al.; Journal of Physical Chemistry; vol. 71; (1967); p. 1596, View in Reaxys; Mishra, Manish Kumar; Ramamurty, Upadrasta; Desiraju, Gautam R.; Chemistry - An Asian Journal; vol. 10; nb. 10; (2015); p. 2176 - 2181, View in Reaxys

Structure of the solid

Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.; Crystal Growth and Design; vol. 13; nb. 8; (2013); p. 3651 - 3656, View in Reaxys; Mishra, Manish Kumar; Ramamurty, Upadrasta; Desiraju, Gautam R.; Chemistry - An Asian Journal; vol. 10; nb. 10; (2015); p. 2176 - 2181, View in Reaxys

Crystal growth

Structure of the solid

supporting information

Mishra, Manish Kumar; Varughese, Sunil; Ramamurty, Upadrasta; Desiraju, Gautam R.; Journal of the American Chemical Society; vol. 135; nb. 22; (2013); p. 8121 - 8124, View in Reaxys

Crystal growth

supporting information

Mishra, Manish Kumar; Varughese, Sunil; Ramamurty, Upadrasta; Desiraju, Gautam R.; Journal of the American Chemical Society; vol. 135; nb. 22; (2013); p. 8121 - 8124, View in Reaxys

Crystal structure determination

-143.16

Thalladi, Venkat R.; Nuesse, Markus; Boese, Roland; Journal of the American Chemical Society; vol. 122; nb. 38; (2000); p. 9227 - 9236, View in Reaxys

Crystal structure determination

24.84

Thalladi, Venkat R.; Nuesse, Markus; Boese, Roland; Journal of the American Chemical Society; vol. 122; nb. 38; (2000); p. 9227 - 9236, View in Reaxys

Polymorphism

Crystal structure determination

Teslenko; Russian Journal of Physical Chemistry A; vol. 70; nb. 3; (1996); p. 433 - 435, View in Reaxys; Thalladi, Venkat R.; Nuesse, Markus; Boese, Roland; Journal of the American Chemical Society; vol. 122; nb. 38; (2000); p. 9227 - 9236, View in Reaxys .

Housty; Hospital; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 258; (1964); p. 1551, View in Reaxys; Housty; Hospital; Acta Crystallographica; vol. 22; (1967); p. 288, View in Reaxys

Crystal structure determination

Housty; Hospital; Acta Crystallographica; vol. 22; (1967); p. 288, View in Reaxys; Housty; Bulletin de la Societe Chimique de France; (1967); p. 273, View in Reaxys

Crystal morphology

Housty; Hospital; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 258; (1964); p. 1551, View in Reaxys

Solid state structure properties

Banerjee et al.; Indian Journal of Physics (1926-1976); vol. 35; (1961); p. 62, View in Reaxys

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Polymorphism

Roentgenographische Untersuchung der beiden Formen.

Trillat; Nowakowski; Annales de Physique (Paris, France); vol. <10>15; (1931); p. 458,462, 474, Tafel IV und V nach S.488, View in Reaxys; Dupre; la Tour; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 202; (1936); p. 1937, View in Reaxys

Polymorphism

zur Dimorphie.

Dupre; la Tour; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 201; (1935); p. 481; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 202; (1936); p. 1937, View in Reaxys

Polymorphism

Azelainsaeure ex- Caspari; Journal of the Chemical Society; (1929); istiert in 2 Modifi- p. 2709, View in Reaxys kationen; die αForm entsteht vorwiegend beim langsamen Eindunsten, die βForm beim raschen Abkuehlen waessr. Loesungen.

Crystal Property Description (3) Colour & Other Location Properties white

Paragraph 0079

References Patent; UNIVERSITE CLAUDE BERNARD LYON I; CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE; Lemaire, Marc; Favre-Reguillon, Alain; Paquit, Bénédicte; Claude, Sylvain; Raoul, Yann; US2013/131379; (2013); (A1) English, View in Reaxys

white

Patent; Gutsche, Bernhard; Franzen, Stefan; Kloeker, Markus; US2007/276165; (2007); (A1) English, View in Reaxys

Blaetter oder abgeplattete Nadeln

Harries; Thieme; Justus Liebigs Annalen der Chemie; vol. 343; (1905); p. 357; Chemische Berichte; vol. 39; (1906); p. 2844, View in Reaxys

Crystal System (2) Crystal System References Monoclinic

Mishra, Manish Kumar; Ramamurty, Upadrasta; Desiraju, Gautam R.; Chemistry - An Asian Journal; vol. 10; nb. 10; (2015); p. 2176 - 2181, View in Reaxys

monoclinic

Thalladi, Venkat R.; Nuesse, Markus; Boese, Roland; Journal of the American Chemical Society; vol. 122; nb. 38; (2000); p. 9227 - 9236, View in Reaxys

Dielectric Constant (1) References Breusch; Ulusoy; Fette, Seifen, Anstrichmittel; vol. 66; (1964); p. 739,740-742; Chem.Abstr.; vol. 62; nb. 7628; (1965), View in Reaxys Dissociation Exponent (60) 1 of 60

Dissociation Exponent (pK)

4.55

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Jones, William; Chemistry - A European Journal; vol. 18; nb. 22; (2012); p. 6835 - 6846, View in Reaxys 2 of 60

Dissociation Exponent (pK)

4.97 - 5.645

Dissociation Group

COOH

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

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Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

in the presence of electrolytes

Bretti, Clemente; Crea, Francesco; Foti, Claudia; Sammartano, Silvio; Journal of Chemical and Engineering Data; vol. 51; nb. 5; (2006); p. 1660 - 1667, View in Reaxys 3 of 60

Dissociation Exponent (pK)

4.248 - 5.005

Dissociation Group

COOH

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

in the presence of electrolytes

Bretti, Clemente; Crea, Francesco; Foti, Claudia; Sammartano, Silvio; Journal of Chemical and Engineering Data; vol. 51; nb. 5; (2006); p. 1660 - 1667, View in Reaxys 4 of 60

Type (Dissociation Exponent)

a1/apparent

Aslan; Erdogan; Demirbas; Karslioglu; Pharmazie; vol. 52; nb. 4; (1997); p. 309 - 310, View in Reaxys 5 of 60

Dissociation Exponent (pK)

3.92

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol

Type (Dissociation Exponent)

a2/apparent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 6 of 60

Dissociation Exponent (pK)

3.92

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol

Type (Dissociation Exponent)

a2/apparent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 7 of 60

Dissociation Exponent (pK)

5.3

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol

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Type (Dissociation Exponent)

a1/apparent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 8 of 60

Dissociation Exponent (pK)

5.3

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol

Type (Dissociation Exponent)

a1/apparent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 9 of 60

Dissociation Exponent (pK)

6.08

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 40percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 10 of 60

Dissociation Exponent (pK)

5.75

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; H2O

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 40percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 11 of 60

Dissociation Exponent (pK)

5.66

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; H2O

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 30percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 12 of 60

Dissociation Exponent (pK)

5.92

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Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 30percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 13 of 60

Dissociation Exponent (pK)

5.74

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 20percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 14 of 60

Dissociation Exponent (pK)

5.58

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; H2O

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 20percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 15 of 60

Dissociation Exponent (pK)

5.5

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; H2O

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 10percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 16 of 60

Dissociation Exponent (pK)

5.62

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; H2O

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Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 10percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 17 of 60

Dissociation Exponent (pK)

4.2

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 10percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 18 of 60

Dissociation Exponent (pK)

4.12

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; H2O

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 10percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 19 of 60

Dissociation Exponent (pK)

4.16

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; H2O

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 20percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 20 of 60

Dissociation Exponent (pK)

4.48

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 20percent

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Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 21 of 60

Dissociation Exponent (pK)

4.86

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 30percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 22 of 60

Dissociation Exponent (pK)

4.2

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; H2O

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 30percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 23 of 60

Dissociation Exponent (pK)

4.27

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; H2O

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 40percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 24 of 60

Dissociation Exponent (pK)

5.2

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; H2O

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 40percent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 25 of 60

Dissociation Exponent (pK)

3.82 - 4

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Temperature (Dissociation Exponent) [°C]

5 - 45

Solvent (Dissociation Exponent)

H2O

Type (Dissociation Exponent)

a2/apparent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 26 of 60

Dissociation Exponent (pK)

5.25 - 5.4

Temperature (Dissociation Exponent) [°C]

5 - 45

Solvent (Dissociation Exponent)

H2O

Type (Dissociation Exponent)

a1/apparent

Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 591, View in Reaxys 27 of 60

Comment (Dissociation Exponent)

(pk')pKs

Fischer; Zeitschrift fuer Physikalische Chemie (Leipzig); vol. 260; (1979); p. 121,123, View in Reaxys 28 of 60

Comment (Dissociation Exponent)

(pk')in Dimethylsulfoxid, pK(1) u. pK(2)

Kolthoff; Chantooni; Analytical Chemistry; vol. 47; (1975); p. 1921,1922, View in Reaxys 29 of 60

Comment (Dissociation Exponent)

(pk')in Acetonitril, pK(1) u. pK(2)

Kolthoff; Chantooni; Analytical Chemistry; vol. 47; (1975); p. 1921,1922, View in Reaxys 30 of 60

Comment (Dissociation Exponent)

(pk')pK(S) in Me.

Chantooni; Kolthoff; Journal of Physical Chemistry; vol. 79; (1975); p. 1176,1177, 1181, View in Reaxys 31 of 60

Comment (Dissociation Exponent)

(pk')pK(S) in Acetonitril

Chantooni; Kolthoff; Journal of Physical Chemistry; vol. 79; (1975); p. 1176,1177, 1181, View in Reaxys 32 of 60

Comment (Dissociation Exponent)

(pk')pK(S) in DMF

Chantooni; Kolthoff; Journal of Physical Chemistry; vol. 79; (1975); p. 1176,1177, 1181, View in Reaxys 33 of 60

Comment (Dissociation Exponent)

(pk')pK(S) in DMSO

Chantooni; Kolthoff; Journal of Physical Chemistry; vol. 79; (1975); p. 1176,1177, 1181, View in Reaxys 34 of 60

Comment (Dissociation Exponent)

(k')ΔpK(A) in Lsg. m. Methyl-ethylketon

Kreshkov; Yarmakovskaya; J. Anal. Chem. USSR (Engl. Transl.); vol. 29; (1974); p. 487,488, View in Reaxys 35 of 60

Comment (Dissociation Exponent)

(k')ΔpK(A) in Lsg. m. Methyl-butyketon

Kreshkov; Yarmakovskaya; J. Anal. Chem. USSR (Engl. Transl.); vol. 29; (1974); p. 487,488, View in Reaxys 36 of 60

Comment (Dissociation Exponent)

(k')ΔpK(A) in Lsg. m. Methyl-isobutylketon

Kreshkov; Yarmakovskaya; J. Anal. Chem. USSR (Engl. Transl.); vol. 29; (1974); p. 487,488, View in Reaxys 37 of 60

Comment (Dissociation Exponent)

(pk')pK1, pK2 in H2O/Aethanol

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Bonhomme; Juillard; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 71; (1974); p. 1097,1098, View in Reaxys 38 of 60

Comment (Dissociation Exponent)

(pk')pK(a) in Ethylmethylketon (aus potentiometr. Mess.), beide Stufen

Kreshkov; Yarmakovskaya; Russian Journal of Physical Chemistry; vol. 47; (1973); p. 143; ; p. 252, View in Reaxys 39 of 60

Comment (Dissociation Exponent)

(k')Inhibitor-Dissoz. Konst. Ki

Fonda; Biochemistry; vol. 11; (1972); p. 1304,1306, View in Reaxys 40 of 60

Comment (Dissociation Exponent)

(pk')pK in tert-Butanol

Kreshkov et al.; J. Anal. Chem. USSR (Engl. Transl.); vol. 26; (1971); p. 2456,2199, View in Reaxys 41 of 60

Comment (Dissociation Exponent)

(pk')Saeure-Diss.-Konst. pK(1), pK(2), ΔpK(m) (W., 25grad, μ=0.1, durch pH-Titrat. ermittelt)

Ninomiya; Toei; Nippon Kagaku Zasshi; vol. 90; (1969); p. 655,656, View in Reaxys 42 of 60

Comment (Dissociation Exponent)

(k')in Wasser-EtOH

Bonhomme; Bulletin de la Societe Chimique de France; (1968); p. 60,61, View in Reaxys 43 of 60

Comment (Dissociation Exponent)

(pk')pK(1) 4.55; pK(2) 5.43

Bonhomme; Bulletin de la Societe Chimique de France; (1968); p. 60,61, View in Reaxys 44 of 60

Comment (Dissociation Exponent)

(pk')pK-Wert

Reynaud; Bulletin de la Societe Chimique de France; (1968); p. 2279, View in Reaxys 45 of 60

Comment (Dissociation Exponent)

(pk')W., 25grad: pK(1):4.55

Bonhomme; Dondon; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 263; (1966); p. 1097, View in Reaxys 46 of 60

Comment (Dissociation Exponent)

(pk')W., 25grad: pK(2):5.43

Bonhomme; Dondon; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 263; (1966); p. 1097, View in Reaxys 47 of 60

Dissociation Exponent (pK)

4.54

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Adell; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 185; (1939); p. 171,173; Zeitschrift fuer Physikalische Chemie, Abteilung A: Chemische Thermodynamik, Kinetik, Elektrochemie, Eigenschaftslehre; vol. 186; (1940); p. 39, View in Reaxys 48 of 60

Dissociation Exponent (pK)

5.41

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

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Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a2/apparent

Dissociation Exponent (pK)

4.55

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Gane; Ingold; Journal of the Chemical Society; (1931); p. 2158, View in Reaxys 50 of 60

Dissociation Exponent (pK)

5.41

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a2/apparent

Gane; Ingold; Journal of the Chemical Society; (1931); p. 2158, View in Reaxys 51 of 60

Dissociation Exponent (pK)

4.52

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Simms; Journal of Physical Chemistry; vol. 32; (1928); p. 1128,1498, View in Reaxys 52 of 60

Dissociation Exponent (pK)

5.39

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a2/apparent

Simms; Journal of Physical Chemistry; vol. 32; (1928); p. 1128,1498, View in Reaxys 53 of 60

Dissociation Exponent (pK)

4.55

Temperature (Dissociation Exponent) [°C]

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

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Gane; Ingold; Journal of the Chemical Society; (1928); p. 1598; Journal of the Chemical Society; (1929); p. 1698, View in Reaxys 54 of 60

Dissociation Exponent (pK)

5.33

Temperature (Dissociation Exponent) [°C]

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a2/apparent

Gane; Ingold; Journal of the Chemical Society; (1928); p. 1598; Journal of the Chemical Society; (1929); p. 1698, View in Reaxys 55 of 60

Dissociation Exponent (pK)

5.55

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

wahre Dissoziationskonstante K:durch Leitfaehigkeit bestimmt.

Chandler; Journal of the American Chemical Society; vol. 30; (1908); p. 713, View in Reaxys 56 of 60

Dissociation Exponent (pK)

4.54

Temperature (Dissociation Exponent) [°C]

Type (Dissociation Exponent)

a1/apparent

Voerman; Recueil des Travaux Chimiques des Pays-Bas; vol. 23; (1904); p. 277, View in Reaxys 57 of 60

Dissociation Exponent (pK)

5.37

Dissociation Group

Type (Dissociation Exponent)

apparent

Comment (Dissociation Exponent)

wahre Dissoziationskonstante K:durch Leitfaehigkeit bestimmt.

Wegscheider; Monatshefte fuer Chemie; vol. 23; (1902); p. 635, View in Reaxys 58 of 60

Dissociation Exponent (pK)

4.6

Temperature (Dissociation Exponent) [°C]

Type (Dissociation Exponent)

a1/apparent

Smith; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 25; (1898); p. 193, View in Reaxys 59 of 60

Dissociation Exponent (pK)

5.57

Temperature (Dissociation Exponent) [°C]

100

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

wahre Dissoziationskonstante K:durch Zuckerinversion bei 100grad bestimmt.

Smith; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 25; (1898); p. 193, View in Reaxys

27/239

2016-03-15 06:25:01

60 of 60

Dissociation Exponent (pK)

4.53

Temperature (Dissociation Exponent) [°C]

Type (Dissociation Exponent)

a1/apparent

Bethmann; Zeitschrift fuer Physikalische Chemie, Stoechiometrie und Verwandtschaftslehre; vol. 5; (1890); p. 404, View in Reaxys Dynamic Viscosity (1) Dynamic Viscosity Temperature (Dy- References [P] namic Viscosity) [°C] 0.05497 - 0.15862 105 - 150

Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 7; (1980); p. 634 - 640, View in Reaxys

Electrical Data (2) 1 of 2

Description (Electrical Data)

Dielectric relaxation time

Comment (Electrical Da- von in 2-Methoxy-aethanol geloester Azelainsaeure. ta) Beguin; Gaeumann; Helvetica Chimica Acta; vol. 41; (1958); p. 1951,1955, View in Reaxys 2 of 2

Description (Electrical Data)

Dielectric increment

Comment (Electrical Da- und Orientierungspolarisation in Aethanol und in 2-Methoxy-aethanol. ta) Hoigne; Gaeumann; Helvetica Chimica Acta; vol. 41; (1958); p. 1933,1949, View in Reaxys Electrical Moment (3) 1 of 3

Description (Electrical Moment)

Dipole moment

Rao; Palit; Indian Journal of Physics (1926-1976); vol. 34; (1960); p. 55,56; Chem.Abstr.; nb. 14839; (1960), View in Reaxys 2 of 3

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.33

Temperature (Electrical Moment) [°C]

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

dioxane

Beguin; Gaeumann; Helvetica Chimica Acta; vol. 41; (1958); p. 1376,1382, View in Reaxys 3 of 3

Description (Electrical Moment)

Dipole moment

Moment (Electrical Moment) [D]

2.45

Temperature (Electrical Moment) [°C]

Method (Electrical Moment)

Dielectric constant (ε)

Solvent (Electrical Moment)

dioxane

Beguin; Gaeumann; Helvetica Chimica Acta; vol. 41; (1958); p. 1376,1382, View in Reaxys

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Electrochemical Behaviour (6) Description (Elec- Comment (Electrochemical Betrochemical Behaviour) haviour) Protonation

References

in the presence of De Stefano, Concetta; Gianguzza, Antonio; Piazzese, Daniela; Journal of Chemical and salts Engineering Data; vol. 45; nb. 1; (2000); p. 15 - 19, View in Reaxys; De Robertis, Alessandro; De Stefano, Concetta; Foti, Claudia; Gianguzza, Antonio; Piazzese, Daniela; Sammartano, Silvio; Journal of Chemical and Engineering Data; vol. 45; nb. 6; (2000); p. 996 - 1000, View in Reaxys

Electrolytic dissociation / protonation equilibrium

Bonhomme; Dondon; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 263; (1966); p. 1097, View in Reaxys; Komar' et al.; Russian Journal of Physical Chemistry; vol. 46; (1972); p. 928; ; p. 1615, View in Reaxys; Andhare, V. R.; Katkar, V. S. (Mrs.); Munshi, K. N.; Journal of the Indian Chemical Society; vol. 64; (1987); p. 589 - 591, View in Reaxys; Aslan; Erdogan; Demirbas; Karslioglu; Pharmazie; vol. 52; nb. 4; (1997); p. 309 - 310, View in Reaxys

Electrolytic dissociation / protonation equilibrium

in binaeren Gemi- Dondon; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 54; (1957); p. schen von Wasser 290,297, View in Reaxys; Yasuda; Bulletin of the Chemical Society of Japan; vol. 32; mit Methanol, Ae- (1959); p. 429,431, View in Reaxys thanol und Dioxan.

Electrolytic dissociation / protonation equilibrium

in Dimethylformamid und in 80prozentig. wss.2-Methoxy-aethanol.

Simon et al.; Helvetica Chimica Acta; vol. 39; (1956); p. 290,294, View in Reaxys

Electrolytic dissociation / protonation equilibrium

in 20prozentig. wss.Methanol.

Peek; Hill; Journal of the American Chemical Society; vol. 73; (1951); p. 5304,5305, View in Reaxys

Enthalpy of neutralization

Massol; Bulletin de la Societe Chimique de France; vol. <3>19; (1898); p. 302, View in Reaxys

Energy Data (MCS) (3) 1 of 3

Description (Energy Data (MCS))

Enthalpy of dilution

Solvent (Energy Data (MCS))

H2O

Temperature (Energy Data (MCS)) [°C]

Partner (Energy Data (MCS))

HCl

Castronuovo, Giuseppina; Elia, Vittorio; Velleca, Filomena; Journal of the Chemical Society - Faraday Transactions; vol. 92; nb. 17; (1996); p. 3093 - 3096, View in Reaxys 2 of 3

Description (Energy Data (MCS))

Enthalpy of solution

Temperature (Energy Data (MCS)) [°C]

Partner (Energy Data (MCS))

water

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 3 of 3

Description (Energy Data (MCS))

Thermodynamic properties of system with

Cingolani et al.; Gazzetta Chimica Italiana; vol. 105; (1975); p. 955,956, 957, 958, View in Reaxys Enthalpy of Formation (1) References Cingolani; Berchiesi; Journal of Thermal Analysis; vol. 6; (1974); p. 87,88, View in Reaxys Enthalpy of Fusion (4) Enthalpy of FuComment (Enthal- References sion [Jmol-1] py of Fusion)

29/239

2016-03-15 06:25:01

36900

380.3 K

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys

Enthalpy of melting given

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, GuoLiang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys

29700

Roux, Maria Victoria; Temprado, Manuel; Chickos, James S.; Journal of Chemical Thermodynamics; vol. 37; nb. 9; (2005); p. 941 - 953, View in Reaxys

39140

Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 6; (1980); p. 516 - 519, View in Reaxys

Enthalpy of Sublimation (3) Enthalpy of Subli- Temperature (En- Comment (Enthal- References mation [Jmol-1] thalpy of Sublima- py of Sublimation) tion) [°C] Enthalpy of sublimation given

Salo, Kent; Jonsson, Asa M.; Andersson, Patrik U.; Hallquist, Mattias; Journal of Physical Chemistry A; vol. 114; nb. 13; (2010); p. 4586 - 4594, View in Reaxys

144200

Roux, Maria Victoria; Temprado, Manuel; Chickos, James S.; Journal of Chemical Thermodynamics; vol. 37; nb. 9; (2005); p. 941 - 953, View in Reaxys

159900

Ribeiro Da Silva, Manuel A. V.; Monte, Manuel J. S.; Ribeiro, Jose R.; Journal of Chemical Thermodynamics; vol. 31; nb. 8; (1999); p. 1093 - 1107, View in Reaxys

Enthalpy of Vaporization (2) Enthalpy of VaTemperature (En- References porization thalpy of Vapori[Jmol-1] zation) [°C] 99000

24.84

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

135000

Roux, Maria Victoria; Temprado, Manuel; Chickos, James S.; Journal of Chemical Thermodynamics; vol. 37; nb. 9; (2005); p. 941 - 953, View in Reaxys

Further Information (18) Description (Fur- References ther Information) Further information

Wood et al.; Canadian Journal of Chemistry; vol. 56; (1978); p. 1372,1376, View in Reaxys

Further information

Gronneberg; Organic Mass Spectrometry; vol. 12; (1977); p. 769, View in Reaxys

Further information

Lobbia et al.; Journal of Thermal Analysis; vol. 12; (1977); p. 449,451, View in Reaxys

Further information

Konishi et al.; Nippon Kagaku Kaishi; (1977); p. 752,754, View in Reaxys

Further information

Tanaka,N.; Thornton,E.R.; Journal of the American Chemical Society; vol. 99; (1977); p. 7300 - 7307, View in Reaxys

Further information

Chan; Choi; Journal of Inorganic and Nuclear Chemistry; vol. 38; (1976); p. 1949, View in Reaxys

Further information

Holmes; Jean; Organic Mass Spectrometry; vol. 3; (1970); p. 1505,1514, View in Reaxys

Further information

Lenne,H.-U. et al.; Justus Liebigs Annalen der Chemie; vol. 732; (1970); p. 70 - 96, View in Reaxys

Further information

Meisel; Erdey; Journal of Thermal Analysis; vol. 1; (1969); p. 159,163, View in Reaxys

Further information

Ol'dekop et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 39; (1969); p. 1110,1080,1082, View in Reaxys

Further information

Aggarwal; Srivastava; Indian Journal of Chemistry; vol. 5; (1967); p. 627,628, View in Reaxys

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Further information

Bernhard; Yekundi; Greub; Helvetica chimica acta; vol. 50; nb. 2; (1967); p. 713 - 716, View in Reaxys

Further information

Ogata et al.; Agricultural and Biological Chemistry; vol. 30; (1966); p. 176,178-179, View in Reaxys

Further information

Yamada; Torigoe; Nippon Kagaku Kaishi; vol. 40; nb. 10; (1966); p. 364,365-370, View in Reaxys

Further information

Ogata et al.; Agricultural and Biological Chemistry; vol. 30; (1966); p. 1024,1027, View in Reaxys

Further information

Farina et al.; Journal of the American Chemical Society; vol. 86; (1964); p. 516, View in Reaxys

Further information

Pasero et al.; Bulletin de la Societe Chimique de France; (1960); p. 1722, View in Reaxys

Further information

Rao; Palit; Indian Journal of Physics (1926-1976); vol. 34; (1960); p. 55,56; Chem.Abstr.; nb. 14839; (1960), View in Reaxys

Interatomic Distances and Angles (3) Description Comment (Intera- References tomic Distances and Angles) Interatomic disSingle Crystal Xtances and angles ray Diffraction

Mishra, Manish Kumar; Ramamurty, Upadrasta; Desiraju, Gautam R.; Chemistry - An Asian Journal; vol. 10; nb. 10; (2015); p. 2176 - 2181, View in Reaxys

Interatomic disMethod of detertances and angles mination: X-ray diffraction

Thalladi, Venkat R.; Nuesse, Markus; Boese, Roland; Journal of the American Chemical Society; vol. 122; nb. 38; (2000); p. 9227 - 9236, View in Reaxys

Interatomic distances and angles

Housty; Hospital; Acta Crystallographica; vol. 22; (1967); p. 288, View in Reaxys

Kinematic Viscosity (1) Kinematic Viscos- Temperature (Kin- References ity [St] ematic Viscosity) [°C] 0.054804 0.153434

105 - 150

Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 7; (1980); p. 634 - 640, View in Reaxys

Liquid/Liquid Systems (MCS) (3) 1 of 3

Description (Liquid/Liquid Systems (MCS))

Equilibrium of liquid phases

Lobbia et al.; Gazzetta Chimica Italiana; vol. 107; (1977); p. 43, View in Reaxys 2 of 3

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Solvent (Liquid/Liquid Systems (MCS))

octan-1-ol; H2O

Collander; Acta Chemica Scandinavica (1947-1973); vol. 5; (1951); p. 774,775, View in Reaxys 3 of 3

Description (Liquid/Liquid Systems (MCS))

Distribution between solvent 1 + 2

Solvent (Liquid/Liquid Systems (MCS))

2-methyl-propan-1-ol; H2O

Collander; Acta Chemica Scandinavica (1947-1973); vol. 4; (1950); p. 1085,1089, View in Reaxys Liquid/Solid Systems (MCS) (12) 1 of 12

Description (Liquid/Solid Liquid/solid phase diagram Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

86.9 - 166.9

Partner (Liquid/Solid Systems (MCS))

4-(4-n-Pentyloxyphenyloxycarbonyl)phenyl pyridine-4-carboxylate

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Description (Liquid/Solid Liquid/solid phase diagram Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

21.1 - 106.9

Partner (Liquid/Solid Systems (MCS))

hexadecanoic acid ethyl ester

Berchieshi, Gianfrancesco; Gioia-Lobbia, Giancarlo; Vitali, Giovanni; Berchiesi, Maria A.; Canadian Journal of Chemistry; vol. 59; (1981); p. 1375 - 1380, View in Reaxys 3 of 12

Description (Liquid/Solid Liquid/solid phase diagram Systems (MCS)) Lobbia et al.; Gazzetta Chimica Italiana; vol. 107; (1977); p. 43, View in Reaxys

4 of 12

Description (Liquid/Solid Eutectic Systems (MCS)) Cingolani et al.; Gazzetta Chimica Italiana; vol. 105; (1975); p. 955,956, 957, 958, View in Reaxys

5 of 12

Description (Liquid/Solid Melting diagram Systems (MCS)) Rudenko; Mitrofanova; J. Gen. Chem. USSR (Engl. Transl.); vol. 40; (1970); p. 1370,1356, View in Reaxys

6 of 12

Description (Liquid/Solid Melting diagram Systems (MCS)) Partner (Liquid/Solid Systems (MCS))

pyridine ( compound 1:2)

Zwetkowa; Trudy Astrachansk.tech.Inst.rybn.Promysl.; nb. 5; (1958); p. 155; Chem.Abstr.; (1960); p. 22645, View in Reaxys 7 of 12

Description (Liquid/Solid Melting diagram Systems (MCS)) Partner (Liquid/Solid Systems (MCS))

quinoline ( compound 1:1)

Zwetkowa; Trudy Astrachansk.tech.Inst.rybn.Promysl.; nb. 5; (1958); p. 155; Chem.Abstr.; (1960); p. 22645, View in Reaxys 8 of 12

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

80.7 - 81

Comment (Liquid/Solid Systems (MCS))

48.5 Gew.-prozent Azelainsaeure.

Partner (Liquid/Solid Systems (MCS))

heptanedioic acid

Houston; van Sandt; Industrial and Engineering Chemistry, Analytical Edition; vol. 18; (1946); p. 538, View in Reaxys 9 of 12

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

96.7 - 97.7

Comment (Liquid/Solid Systems (MCS))

75 Gew.-prozent Azelainsaeure.

Partner (Liquid/Solid Systems (MCS))

suberic acid

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Houston; van Sandt; Industrial and Engineering Chemistry, Analytical Edition; vol. 18; (1946); p. 538, View in Reaxys 10 of 12

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

96.1 - 96.8

Comment (Liquid/Solid Systems (MCS))

72 Gew.-prozent Azelainsaeure.

Partner (Liquid/Solid Systems (MCS))

1,10-decanedioic acid

Houston; van Sandt; Industrial and Engineering Chemistry, Analytical Edition; vol. 18; (1946); p. 538, View in Reaxys 11 of 12

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

88 - 88.5

Comment (Liquid/Solid Systems (MCS))

52 Gew.-prozent Azelainsaeure.

Partner (Liquid/Solid Systems (MCS))

1,9-nonanedicarboxylic acid

Houston; van Sandt; Industrial and Engineering Chemistry, Analytical Edition; vol. 18; (1946); p. 538, View in Reaxys 12 of 12

Description (Liquid/Solid Melting diagram Systems (MCS)) Partner (Liquid/Solid Systems (MCS))

nicotinic acid amide ( compound 1:1)

Kofler; Kofler; Chemische Berichte; vol. 76; (1943); p. 718,721, View in Reaxys Liquid/Vapour Systems (MCS) (4) 1 of 4

Description (Liquid/Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Temperature (Liquid/Va- 25 pour Systems (MCS)) [°C] Partner (Liquid/Vapour Systems (MCS))

tetraethylammonium iodide

Bretti, Clemente; Crea, Francesco; Foti, Claudia; Sammartano, Silvio; Journal of Chemical and Engineering Data; vol. 51; nb. 5; (2006); p. 1660 - 1667, View in Reaxys 2 of 4

Description (Liquid/Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Temperature (Liquid/Va- 25 pour Systems (MCS)) [°C] Partner (Liquid/Vapour Systems (MCS))

anhydrous tetramethylammonium chloride

Bretti, Clemente; Crea, Francesco; Foti, Claudia; Sammartano, Silvio; Journal of Chemical and Engineering Data; vol. 51; nb. 5; (2006); p. 1660 - 1667, View in Reaxys 3 of 4

Description (Liquid/Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Temperature (Liquid/Va- 25 pour Systems (MCS)) [°C]

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Partner (Liquid/Vapour Systems (MCS))

aq. NaCl

Bretti, Clemente; Crea, Francesco; Foti, Claudia; Sammartano, Silvio; Journal of Chemical and Engineering Data; vol. 51; nb. 5; (2006); p. 1660 - 1667, View in Reaxys 4 of 4

Description (Liquid/Vapour Systems (MCS))

Activity coefficients of the components in the mixture

Chantooni; Kolthoff; Journal of Physical Chemistry; vol. 79; (1975); p. 1176,1177, 1181, View in Reaxys Mechanical Properties (3) Description (MeLocation chanical Properties) Elastic properties

supporting information

References

Mishra, Manish Kumar; Varughese, Sunil; Ramamurty, Upadrasta; Desiraju, Gautam R.; Journal of the American Chemical Society; vol. 135; nb. 22; (2013); p. 8121 - 8124, View in Reaxys

Elasticity constants

Teslenko; Russian Journal of Physical Chemistry A; vol. 70; nb. 3; (1996); p. 433 - 435, View in Reaxys

Molar volume

Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 7; (1980); p. 634 - 640, View in Reaxys; Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 6; (1980); p. 516 - 519, View in Reaxys

Optical Rotatory Power (1) 1 of 1

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

0.5 g/100ml

Solvent (Optical Rotatory Power)

chloroform

Optical Rotatory Power [deg]

26.9

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

References

Optical properties

Rudenko; Mitrofanova; J. Gen. Chem. USSR (Engl. Transl.); vol. 40; (1970); p. 1370,1356, View in Reaxys

Other Thermochemical Data (6) Description (Other Comment (Other Thermochemical Thermochemical Data) Data)

References

Enthalpy of selfassociation

Castronuovo; Elia; Niccoli; Velleca; Physical Chemistry Chemical Physics; vol. 3; nb. 12; (2001); p. 2488 - 2492, View in Reaxys

Entropy

Cingolani; Berchiesi; Journal of Thermal Analysis; vol. 6; (1974); p. 87,88, View in Reaxys; Khetarpal, S. C.; Lal, Krishan; Bhatnagar, Hari L.; Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical & Analytical; vol. 19; nb. 6; (1980); p. 516 - 519, View in Reaxys; Ribeiro Da Silva, Manuel A. V.; Monte, Manuel J. S.; Ribeiro, Jose R.; Journal of Chemical Thermodynamics; vol. 31; nb. 8; (1999); p. 1093 1107, View in Reaxys

Enthalpy

Cingolani; Berchiesi; Journal of Thermal Analysis; vol. 6; (1974); p. 87,88, View in Reaxys

Thermodynamic properties

Meisel; Erdey; Journal of Thermal Analysis; vol. 1; (1969); p. 159,163, View in Reaxys

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Heat of combustion at constant volume

6066.7 cal/g.

Verkade; Coops; Recueil des Travaux Chimiques des Pays-Bas; vol. 47; (1928); p. 608; Recueil des Travaux Chimiques des Pays-Bas; vol. 52; (1933); p. 254, View in Reaxys

Heat of combustion at constant volume

1140.1 Cal./Mol..

Stohmann; Kleber; Langbein; Journal fuer Praktische Chemie (Leipzig); vol. <2>40; (1889); p. 216, View in Reaxys

Partition octan-1-ol/water (MCS) (1) 1 of 1

log POW

1.37

Location

supporting information

Stratton, Christopher F.; Newman, David J.; Tan, Derek S.; Bioorganic and Medicinal Chemistry Letters; vol. 25; nb. 21; (2015); p. 4802 - 4807, View in Reaxys Solubility (MCS) (150) 1 of 150

Solubility [g·l-1]

0.44

Temperature (Solubility (MCS)) [°C]

24.84

Solvent (Solubility (MCS))

water

Pfrang, Christian; Sebastiani, Federica; Lucas, Claire O. M.; King, Martin D.; Hoare, Ioan D.; Chang, Debby; Campbell, Richard A.; Physical Chemistry Chemical Physics; vol. 16; nb. 26; (2014); p. 13220 - 13228, View in Reaxys 2 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

26.03

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.001055 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 3 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

22.49

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.002594 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 4 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

23.24

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 1.466 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 5 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

19.93

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Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

Comment (Solubility (MCS))

Solubility: 4.201 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 6 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

20.69

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 5.312 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 7 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

19.19

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 4.591 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 8 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

29.33

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.003736 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 9 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

35.33

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.007823 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 10 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

38.55

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.01385 molpercent

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Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 11 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

39.97

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.02244 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 12 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

43.58

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.03226 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 13 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

44.84

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.04252 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 14 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

48.86

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.06204 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 15 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

51.98

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.08923 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 16 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

55.75

37/239

2016-03-15 06:25:01

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.122 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 17 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

58.77

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.152 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 18 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

61.1

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.186 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 19 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

63.73

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.228 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 20 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

65.49

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.291 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 21 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

67.8

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.381 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys

38/239

2016-03-15 06:25:01

22 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

69.61

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.508 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 23 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

70.63

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.645 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 24 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

71.32

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.796 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 25 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

71.76

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 0.988 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 26 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

72.06

Solvent (Solubility (MCS))

water

Comment (Solubility (MCS))

Solubility: 1.219 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 27 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

72.36

Solvent (Solubility (MCS))

water

39/239

2016-03-15 06:25:01

Comment (Solubility (MCS))

Solubility: 1.503 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 28 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

23.69

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.007709 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 29 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

24.78

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.01646 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 30 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

25.57

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.02844 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 31 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

26.38

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.0451 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 32 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

27.64

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

40/239

2016-03-15 06:25:01

Comment (Solubility (MCS))

Solubility: 0.06774 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 33 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

29.81

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.114 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 34 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

32.87

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.182 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 35 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

35.76

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.255 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 36 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

38.22

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.336 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 37 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

40.54

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

41/239

2016-03-15 06:25:01

Comment (Solubility (MCS))

Solubility: 0.427 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 38 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

42.81

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.532 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 39 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

44.63

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.652 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 40 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

47.03

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.8 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 41 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

48.36

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 0.978 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 42 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

50.02

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

42/239

2016-03-15 06:25:01

Comment (Solubility (MCS))

Solubility: 1.227 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 43 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

51.54

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 1.529 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 44 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

52.33

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 1.918 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 45 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

54.04

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 2.416 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 46 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

55.82

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 3.057 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 47 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

57.78

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

43/239

2016-03-15 06:25:01

Comment (Solubility (MCS))

Solubility: 4.005 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 48 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 5.514 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 49 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

64.46

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (8.91 molpercent); ethanol (91.09 molpercent)

Comment (Solubility (MCS))

Solubility: 7.592 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 50 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

25.3

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 1.693 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 51 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

28.79

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 2.083 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 52 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

30.8

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

44/239

2016-03-15 06:25:01

Comment (Solubility (MCS))

Solubility: 2.536 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 53 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

34.09

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 3.222 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 54 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

37.29

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 4.02 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 55 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

40.86

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 5.009 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 56 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

42.33

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 5.555 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 57 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

43.73

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

45/239

2016-03-15 06:25:01

Comment (Solubility (MCS))

Solubility: 6.086 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 58 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

45.44

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 5.767 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 59 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

47.24

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 7.51 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 60 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

49.22

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 8.442 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 61 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

52.03

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 9.608 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 62 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

54.54

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

46/239

2016-03-15 06:25:01

Comment (Solubility (MCS))

Solubility: 11.01 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 63 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

57.14

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 12.61 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 64 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

60.33

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 14.47 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 65 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

64.35

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (28.11 molpercent); ethanol (71.89 molpercent)

Comment (Solubility (MCS))

Solubility: 17.08 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 66 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

24.44

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

Comment (Solubility (MCS))

Solubility: 5.174 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 67 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

26.83

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

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Comment (Solubility (MCS))

Solubility: 5.852 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 68 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

30.64

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

Comment (Solubility (MCS))

Solubility: 6.849 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 69 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

34.44

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

Comment (Solubility (MCS))

Solubility: 8.003 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 70 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

38.02

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

Comment (Solubility (MCS))

Solubility: 9.303 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 71 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

41.69

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

Comment (Solubility (MCS))

Solubility: 10.56 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 72 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

44.2

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

48/239

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Comment (Solubility (MCS))

Solubility: 11.64 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 73 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

46.94

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

Comment (Solubility (MCS))

Solubility: 12.81 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 74 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

50.12

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

Comment (Solubility (MCS))

Solubility: 14.24 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 75 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

54.68

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

Comment (Solubility (MCS))

Solubility: 16.78 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 76 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

57.61

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

Comment (Solubility (MCS))

Solubility: 18.58 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 77 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

60.04

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

49/239

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Comment (Solubility (MCS))

Solubility: 20.53 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 78 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

63.29

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (61.01 molpercent); ethanol (38.99 molpercent)

Comment (Solubility (MCS))

Solubility: 22.79 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 79 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

23.69

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 5.965 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 80 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

27.1

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 6.672 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 81 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

29.7

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 7.489 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 82 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

30.7

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

50/239

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Comment (Solubility (MCS))

Solubility: 7.74 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 83 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

34.6

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 8.948 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 84 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

38.45

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 10.3 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 85 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

42.25

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 11.79 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 86 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

46.04

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 13.5 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 87 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

50.27

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

51/239

2016-03-15 06:25:01

Comment (Solubility (MCS))

Solubility: 15.67 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 88 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

54.69

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 18.06 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 89 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

56.31

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 19.21 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 90 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

58.67

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 20.71 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 91 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

59.95

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 21.6 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 92 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

61.37

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

52/239

2016-03-15 06:25:01

Comment (Solubility (MCS))

Solubility: 23 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 93 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

62.22

Solvent (Solubility (MCS))

water; ethanol

Ratio of Solvents

water (80.16 molpercent); ethanol (19.84 molpercent)

Comment (Solubility (MCS))

Solubility: 23.45 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 94 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

23.1

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 5.416 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 95 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

27.08

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 6.417 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 96 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

31.04

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 7.538 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 97 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

34.84

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 8.646 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 98 of 150

Saturation

in solution

53/239

2016-03-15 06:25:01

Temperature (Solubility (MCS)) [°C]

38.25

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 9.788 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 99 of 150

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

41.15

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 10.83 molpercent

Chen, Su-Ning; Xia, Qing; Li, Dong; Yuan, Wei-Guang; Zhang, Feng-Bao; Zhang, Guo-Liang; Journal of Chemical and Engineering Data; vol. 54; nb. 4; (2009); p. 1395 - 1399, View in Reaxys 100 of 150 Saturation

in solution

Temperature (Solubility (MCS)) [°C]

43.6

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 11.86 molpercent

in solution

Temperature (Solubility (MCS)) [°C]

46.51

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 13.26 molpercent

in solution

Temperature (Solubility (MCS)) [°C]

49.2

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 14.59 molpercent

in solution

Temperature (Solubility (MCS)) [°C]

51.78

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 16.03 molpercent

54/239

2016-03-15 06:25:01

in solution

Temperature (Solubility (MCS)) [°C]

54.48

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 17.58 molpercent

in solution

Temperature (Solubility (MCS)) [°C]

56.89

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 19.2 molpercent

in solution

Temperature (Solubility (MCS)) [°C]

58.99

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 20.97 molpercent

in solution

Temperature (Solubility (MCS)) [°C]

61.19

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 22.81 molpercent

in solution

Temperature (Solubility (MCS)) [°C]

63.6

Solvent (Solubility (MCS))

ethanol

Comment (Solubility (MCS))

Solubility: 24.73 molpercent

in solution pressure dependence. Object(s) of Study: temperature dependence

55/239

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Sparks, Darrell L.; Hernandez, Rafael; Estevez, L. Antonio; Meyer, Nicholas; French, Todd; Journal of Chemical and Engineering Data; vol. 52; nb. 4; (2007); p. 1246 - 1249, View in Reaxys 110 of 150 Saturation Comment (Solubility (MCS))

in solution solvent dependence

Bretti, Clemente; Crea, Francesco; Foti, Claudia; Sammartano, Silvio; Journal of Chemical and Engineering Data; vol. 51; nb. 5; (2006); p. 1660 - 1667, View in Reaxys 111 of 150 Solubility [g·l-1]

1.4

Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Zimmermann, Francois; Meux, Eric; Mieloszynski, Jean-Luc; Lecuire, Jean-Marie; Oget, Nicolas; Tetrahedron Letters; vol. 46; nb. 18; (2005); p. 3201 - 3203, View in Reaxys 112 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.00594 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 113 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

12.7

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.00813 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 114 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

18.7

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.01167 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 115 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.01706 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys

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2016-03-15 06:25:01

116 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

34.7

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.02868 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 117 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.03357 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 118 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

52.6

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.04815 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 119 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.06996 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 120 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

61.5

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.09313 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 121 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

57/239

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Comment (Solubility (MCS))

Solubilty: 0.1281 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 122 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.1324 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 123 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

74.5

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.1528 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 124 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

79.9

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.1914 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 125 of 150 Saturation

in pure solvent

Temperature (Solubility (MCS)) [°C]

84.5

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubilty: 0.1728 mol-percent

Apelblat, Alexander; Manzurola, Emanuel; Journal of Chemical Thermodynamics; vol. 22; nb. 3; (1990); p. 289 292, View in Reaxys 126 of 150 Comment (Solubility (MCS))

Loeslichkeit in H2O bei versch. Ionenstaerken

Nielsen; Faraday Discussions of the Chemical Society; vol. 61; (1976); p. 153,158, 160-163, View in Reaxys 127 of 150 Comment (Solubility (MCS))

in Me., Acetonitril, DMF u. DMSO

Chantooni; Kolthoff; Journal of Physical Chemistry; vol. 79; (1975); p. 1176,1177, 1181, View in Reaxys 128 of 150 Komar' et al.; Russian Journal of Physical Chemistry; vol. 46; (1972); p. 928; ; p. 1615, View in Reaxys 129 of 150 Comment (Solubility (MCS))

in Wasser-EtOH

Bonhomme; Bulletin de la Societe Chimique de France; (1968); p. 60,61, View in Reaxys

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130 of 150 Comment (Solubility (MCS))

W., Acn., E., bei 21grad

Breusch; Ulusoy; Fette, Seifen, Anstrichmittel; vol. 66; (1964); p. 739,740-742; Chem.Abstr.; vol. 62; nb. 7628; (1965), View in Reaxys 131 of 150 Comment (Solubility (MCS))

durch Lecithin in Bzl.

Elworthy; Journal of the Chemical Society; (1960); p. 139,140, View in Reaxys 132 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

100 g solvent dissolves. 0.60 g Substance.

Patent; Hall Co.; US2824134; (1955), View in Reaxys 133 of 150 Temperature (Solubility (MCS)) [°C]

100

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

100 g solvent dissolves. 435 g Substance.

Patent; Hall Co.; US2824134; (1955), View in Reaxys 134 of 150 Solvent (Solubility (MCS)) Comment (Solubility (MCS))

aq. HNO3 (25percent) at:25-90 degreeC.

Patent; Hall Co.; US2824135; (1955), View in Reaxys 135 of 150 Solvent (Solubility (MCS)) Comment (Solubility (MCS))

aq. HNO3 (40percent) at:25-90 degreeC.

Patent; Hall Co.; US2824135; (1955), View in Reaxys 136 of 150 Solvent (Solubility (MCS)) Comment (Solubility (MCS))

aq. HNO3 (58percent) at:25-90 degreeC.

Patent; Hall Co.; US2824135; (1955), View in Reaxys 137 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

benzene

Comment (Solubility (MCS))

100 g solvent dissolves. 9.2 mg Substance.

Verkade; Coops; Recueil des Travaux Chimiques des Pays-Bas; vol. 49; (1930); p. 568,575, View in Reaxys 138 of 150 Temperature (Solubility (MCS)) [°C]

19.4

Solvent (Solubility (MCS))

aq. formic acid (95percent)

Comment (Solubility (MCS))

100 g solvent dissolves. 3.79 g Substance.in boiling solvent.

Aschan; Chemiker-Zeitung, Chemische Apparatur; vol. 37; (1913); p. 1117, View in Reaxys

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139 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.212 part(s) of substance.dissolves in:100 parts of solvent.

Molinari; Fenaroli; Chemische Berichte; vol. 41; (1908); p. 2790 Anm.1, View in Reaxys 140 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.214 part(s) of substance.dissolves in:100 parts of solvent.

Molinari; Fenaroli; Chemische Berichte; vol. 41; (1908); p. 2790 Anm.1, View in Reaxys 141 of 150 Temperature (Solubility (MCS)) [°C]

44.5

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.817 part(s) of substance.dissolves in:100 parts of solvent.

Molinari; Fenaroli; Chemische Berichte; vol. 41; (1908); p. 2790 Anm.1, View in Reaxys 142 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

1.648 part(s) of substance.dissolves in:100 parts of solvent.

Molinari; Fenaroli; Chemische Berichte; vol. 41; (1908); p. 2790 Anm.1, View in Reaxys 143 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.10 part(s) of substance.dissolves in:100 ccm parts of solvent.

Lamouroux; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 128; (1899); p. 999, View in Reaxys 144 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.24 part(s) of substance.dissolves in:100 ccm parts of solvent.

Lamouroux; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 128; (1899); p. 999, View in Reaxys 145 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.82 part(s) of substance.dissolves in:100 ccm parts of solvent.

Lamouroux; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 128; (1899); p. 999, View in Reaxys

60/239

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146 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

2.2 part(s) of substance.dissolves in:100 ccm parts of solvent.

Lamouroux; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 128; (1899); p. 999, View in Reaxys 147 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.108 part(s) of substance.dissolves in:100 parts of solvent.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys 148 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

diethyl ether

Comment (Solubility (MCS))

1.88 part(s) of substance.dissolves in:100 parts of solvent.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys 149 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

diethyl ether

Comment (Solubility (MCS))

2.68 part(s) of substance.dissolves in:100 parts of solvent.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys 150 of 150 Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.257 part(s) of substance.dissolves in:100 parts of solvent.

Grote; Justus Liebigs Annalen der Chemie; vol. 130; (1864); p. 208, View in Reaxys Sound Properties (2) Description References (Sound Properties) Ultrasonic proper- Subrahmanyam; Rao; Current Science; vol. 44; (1975); p. 335, View in Reaxys; Rao; Subrahmanyam; Curties rent Science; vol. 47; (1978); p. 46,47, 48, View in Reaxys Velocity of sound Space Group (5) Space Group 15

Subrahmanyam; Raghupathi Rao; Proceedings - Indian Academy of Sciences, Section A; vol. 83; (1976); p. 202,204, View in Reaxys Location

Comment (Space Group)

References

a = 22.619 Å; b = Mishra, Manish Kumar; Ramamurty, Upadrasta; Desiraju, Gautam 4.7239 Å; c = R.; Chemistry - An Asian Journal; vol. 10; nb. 10; (2015); p. 2176 9.644 Å; β = 2181, View in Reaxys 110.69 °; Z = 4; T = 150 K; Method = Single crystal Xray diffraction

61/239

2016-03-15 06:25:01

supporting information

T = 150 K; Method Mishra, Manish Kumar; Varughese, Sunil; Ramamurty, Upadrasta; = Single crystal X- Desiraju, Gautam R.; Journal of the American Chemical Society; ray diffraction; vol. 135; nb. 22; (2013); p. 8121 - 8124, View in Reaxys atomic positions available

Thalladi, Venkat R.; Nuesse, Markus; Boese, Roland; Journal of the American Chemical Society; vol. 122; nb. 38; (2000); p. 9227 - 9236, View in Reaxys

Thalladi, Venkat R.; Nuesse, Markus; Boese, Roland; Journal of the American Chemical Society; vol. 122; nb. 38; (2000); p. 9227 - 9236, View in Reaxys Housty; Hospital; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 258; (1964); p. 1551, View in Reaxys; Housty; Hospital; Acta Crystallographica; vol. 22; (1967); p. 288, View in Reaxys

Transport Phenomena (MCS) (1) 1 of 1

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 25 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 2.09E-10 cm2/s

Partner (Transport Phenomena (MCS))

[(2)H6]acetone; water

Kusukawa, Takahiro; Tanaka, Syugo; Inoue, Kouta; Tetrahedron; vol. 70; nb. 26; (2014); p. 4049 - 4056, View in Reaxys Vapour Pressure (4) Vapour Pressure Temperature (Va- Comment (Vapour References [Torr] pour Pressure) Pressure) [°C] 7.80078E-08

24.84

Diagram

8.9686E-08

24.84

3.52535E-07

24.84

Salo, Kent; Jonsson, Asa M.; Andersson, Patrik U.; Hallquist, Mattias; Journal of Physical Chemistry A; vol. 114; nb. 13; (2010); p. 4586 - 4594, View in Reaxys Diagram exists

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Ribeiro Da Silva, Manuel A. V.; Monte, Manuel J. S.; Ribeiro, Jose R.; Journal of Chemical Thermodynamics; vol. 31; nb. 8; (1999); p. 1093 - 1107, View in Reaxys

NMR Spectroscopy (18) 1 of 18

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Benessere, Vincenzo; Cucciolito, Maria E.; De Santis, Augusta; Di Serio, Martino; Esposito, Roberto; Ruffo, Francesco; Turco, Rosa; Journal of the American Oil Chemists' Society; vol. 92; nb. 11-12; (2015); p. 1701 - 1707, View in Reaxys 2 of 18

Description (NMR Spec- Chemical shifts; Spectrum troscopy)

62/239

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Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Location

Paragraph 0052; Sheet 9/11

Patent; P2 SCIENCE, INC.; FOLEY, Patrick; YANG, Yonghua; WO2014/15290; (2014); (A1) English, View in Reaxys 3 of 18

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide-d6; water scopy) Temperature (NMR Spectroscopy) [°C]

24.84

Frequency (NMR Spectroscopy) [MHz]

500

Location

supporting information

Kusukawa, Takahiro; Tanaka, Syugo; Inoue, Kouta; Tetrahedron; vol. 70; nb. 26; (2014); p. 4049 - 4056, View in Reaxys 4 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

24.84

Schievano, Elisabetta; Morelato, Elisa; Facchin, Chiara; Mammi, Stefano; Journal of Agricultural and Food Chemistry; vol. 61; nb. 8; (2013); p. 1747 - 1755, View in Reaxys 7 of 18

Description (NMR Spec- Chemical shifts troscopy)

63/239

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Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- chloroform-d1 scopy) Temperature (NMR Spectroscopy) [°C]

24.84

Schievano, Elisabetta; Morelato, Elisa; Facchin, Chiara; Mammi, Stefano; Journal of Agricultural and Food Chemistry; vol. 61; nb. 8; (2013); p. 1747 - 1755, View in Reaxys 8 of 18

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dichloromethane-d2 scopy) Temperature (NMR Spectroscopy) [°C]

13.64

Frequency (NMR Spectroscopy) [MHz]

600

Kadhum, Abdul Amir H.; Wasmi, Bilal A.; Mohamad, Abu Bakar; Al-Amiery, Ahmed A.; Takriff, Mohd S.; Research on Chemical Intermediates; vol. 38; nb. 2; (2012); p. 659 - 668, View in Reaxys 9 of 18

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dichloromethane-d2 scopy) Temperature (NMR Spectroscopy) [°C]

27.94

Frequency (NMR Spectroscopy) [MHz]

600

Kadhum, Abdul Amir H.; Wasmi, Bilal A.; Mohamad, Abu Bakar; Al-Amiery, Ahmed A.; Takriff, Mohd S.; Research on Chemical Intermediates; vol. 38; nb. 2; (2012); p. 659 - 668, View in Reaxys 10 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Location

supporting information

Hu, Xiao-Bo; Chen, Lei; Si, Wen; Yu, Yihua; Hou, Jun-Li; Chemical Communications; vol. 47; nb. 16; (2011); p. 4694 - 4696, View in Reaxys 11 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Karim, Mohammad R.; Sampson, Paul; Journal of Organic Chemistry; vol. 55; nb. 2; (1990); p. 598 - 605, View in Reaxys; Cotarca; Delogu; Maggioni; Nardelli; Bianchini; Sguassero; Synthesis; nb. 3; (1997); p. 328 - 332, View in Reaxys; Zimmermann, Francois; Meux, Eric; Mieloszynski, Jean-Luc; Lecuire, Jean-Marie; Oget, Nicolas; Tetrahedron Letters; vol. 46; nb. 18; (2005); p. 3201 - 3203, View in Reaxys 12 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

64/239

2016-03-15 06:25:01

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

250

Zimmermann, Francois; Meux, Eric; Mieloszynski, Jean-Luc; Lecuire, Jean-Marie; Oget, Nicolas; Tetrahedron Letters; vol. 46; nb. 18; (2005); p. 3201 - 3203, View in Reaxys 13 of 18

Nucleus (NMR Spectroscopy)

Coupling Nuclei

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

250

Zimmermann, Francois; Meux, Eric; Mieloszynski, Jean-Luc; Lecuire, Jean-Marie; Oget, Nicolas; Tetrahedron Letters; vol. 46; nb. 18; (2005); p. 3201 - 3203, View in Reaxys 14 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- solid scopy) Frequency (NMR Spectroscopy) [MHz]

67.8

Braga, Dario; Maini, Lucia; De Sanctis, Giorgiana; Rubini, Katia; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Chemistry - A European Journal; vol. 9; nb. 22; (2003); p. 5538 - 5548, View in Reaxys 15 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Comment (NMR Spectroscopy)

1H-1H

Karim, Mohammad R.; Sampson, Paul; Journal of Organic Chemistry; vol. 55; nb. 2; (1990); p. 598 - 605, View in Reaxys; Cotarca; Delogu; Maggioni; Nardelli; Bianchini; Sguassero; Synthesis; nb. 3; (1997); p. 328 - 332, View in Reaxys 17 of 18

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- solid scopy) Merwin, Lawrence H.; Ross, Sidney D.; Magnetic Resonance in Chemistry; vol. 30; nb. 5; (1992); p. 440 - 448, View in Reaxys 18 of 18

Description (NMR Spec- Chemical shifts troscopy)

65/239

2016-03-15 06:25:01

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- solid scopy) Harris, Robin K.; Jackson, Peter; Merwin, Lawrence H.; Say, Barry J.; Haegele, Gerhard; Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases; vol. 84; nb. 11; (1988); p. 3649 - 3672, View in Reaxys IR Spectroscopy (13) 1 of 13

Description (IR Spectroscopy)

Bands; Spectrum

Kadhum, Abdul Amir H.; Wasmi, Bilal A.; Mohamad, Abu Bakar; Al-Amiery, Ahmed A.; Takriff, Mohd S.; Research on Chemical Intermediates; vol. 38; nb. 2; (2012); p. 659 - 668, View in Reaxys; Otero, Vanessa; Sanches, Diogo; Montagner, Cristina; Vilarigues, Mrcia; Carlyle, Leslie; Lopes, Joo A.; Melo, Maria J.; Journal of Raman Spectroscopy; vol. 45; nb. 11-12; (2014); p. 1197 - 1206, View in Reaxys 2 of 13

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

dichloromethane

Temperature (IR Spectroscopy) [°C]

23.84

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Zimmermann, Francois; Meux, Eric; Mieloszynski, Jean-Luc; Lecuire, Jean-Marie; Oget, Nicolas; Tetrahedron Letters; vol. 46; nb. 18; (2005); p. 3201 - 3203, View in Reaxys 4 of 13

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

nujol

Narasimhan; Kothawade; Pharande; Mourya; Dhake; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 42; nb. 11; (2003); p. 2828 - 2834, View in Reaxys 5 of 13

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

nujol

Comment (IR Spectroscopy)

3029 - 920 cm**(-1)

Cotarca; Delogu; Maggioni; Nardelli; Bianchini; Sguassero; Synthesis; nb. 3; (1997); p. 328 - 332, View in Reaxys 6 of 13

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

1759 - 1711 cm**(-1)

Takasuka, Mamoru; Ezumi, Kiyoshi; Yamakawa, Masumi; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 1; (1992); p. 29 - 33, View in Reaxys 7 of 13

Description (IR Spectroscopy)

Intensity of IR bands

Takasuka, Mamoru; Ezumi, Kiyoshi; Yamakawa, Masumi; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 1; (1992); p. 29 - 33, View in Reaxys

66/239

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8 of 13

Description (IR Spectroscopy)

Spectrum

Pasero et al.; Bulletin de la Societe Chimique de France; (1960); p. 1722, View in Reaxys; Aggarwal; Srivastava; Indian Journal of Chemistry; vol. 5; (1967); p. 627,628, View in Reaxys; Ogino et al.; Agricultural and Biological Chemistry; vol. 29; (1965); p. 1009,1011, View in Reaxys 9 of 13

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

3333 - 909 cm**(-1)

Briner; Dallwigk; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 244; (1957); p. 1695,1697, View in Reaxys 10 of 13

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

KCl

Comment (IR Spectroscopy)

2000 - 769 cm**(-1)

Corish; Davison; Journal of the Chemical Society; (1955); p. 2431,2433, View in Reaxys 11 of 13

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

2000 - 769 cm**(-1); geschmolzener Azelainsaeure.

Corish; Davison; Journal of the Chemical Society; (1955); p. 2431,2433, View in Reaxys 12 of 13

Description (IR Spectroscopy)

Spectrum

Comment (IR Spectroscopy)

3846 - 602 cm**(-1)

Lecomte; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 211; (1940); p. 777, View in Reaxys; Schoenmann; Helvetica Physica Acta; vol. 16; (1943); p. 348,350, 354; Chem.Abstr.; (1946); p. 5641, View in Reaxys; Wehrli; Schoenmann; Helvetica Physica Acta; vol. 15; (1942); p. 318; Chem.Abstr.; (1943); p. 34, View in Reaxys 13 of 13

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

CCl4

Comment (IR Spectroscopy)

3571 - 2500 cm**(-1)

Wall; Claussen; Journal of the American Chemical Society; vol. 61; (1939); p. 2812,2813, View in Reaxys Mass Spectrometry (17) Description (Mass Location Spectrometry)

Comment (Mass Spectrometry)

References

time-of-flight mass spectra (TOFMS); electrospray ionisation (ESI); liquid chromatography mass spectrometry (LCMS); spectrum

Mekky, Reham Hassan; Contreras, Mara Del Mar; El-Gindi, Mohamed Roshdi; Abdel-Monem, Azza R.; Abdel-Sattar, Essam; Segura-Carretero, Antonio; RSC Advances; vol. 5; nb. 23; (2015); p. 17751 - 17767, View in Reaxys

CI (Chemical ionization); spectrum

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

67/239

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high resolution mass spectrometry (HRMS); electrospray ionisation (ESI); liquid chromatography mass spectrometry (LCMS); spectrum

Lee, Yung-Ping; Kuo, Tzong-Fu; Lee, Shoei-Sheng; Journal of Pharmaceutical and Biomedical Analysis; vol. 111; (2015); p. 311 319, View in Reaxys

high resolution mass spectrometry (HRMS); photoionization; spectrum

Parshintsev, Jevgeni; Vaikkinen, Anu; Lipponen, Katriina; Vrkoslav, Vladimir; Cvaka, Josef; Kostiainen, Risto; Kotiaho, Tapio; Hartonen, Kari; Riekkola, Marja-Liisa; Kauppila, Tiina J.; Rapid Communications in Mass Spectrometry; vol. 29; nb. 13; (2015); p. 1233 - 1241, View in Reaxys

gas chromatography mass spectrometry (GCMS); electron impact (EI); spectrum

Miuc, Alen; Vonina, Ernest; Lenik, Uro; Acta Chimica Slovenica; vol. 62; nb. 4; (2015); p. 834 - 848, View in Reaxys

electrospray ioni- supporting inforsation (ESI); liquid mation chromatography mass spectrometry (LCMS); spectrum

electrospray ioni- supporting inforsation (ESI); time- mation of-flight mass spectra (TOFMS); liquid chromatography mass spectrometry (LCMS); spectrum

Kulik, Anna; Martin, Andreas; Pohl, Marga-Martina; Fischer, Christine; Koeckritz, Angela; Green Chemistry; vol. 16; nb. 4; (2014); p. 1799 - 1806, View in Reaxys

ESI (Electrospray ionisation); Spectrum

Last, Deborah J.; Najera, Juan J.; Wamsley, Ruth; Hilton, Gareth; McGillen, Max; Percival, Carl J.; Horn, Andrew B.; Physical Chemistry Chemical Physics; vol. 11; nb. 9; (2009); p. 1427 - 1440, View in Reaxys; Yasmeen, Farhat; Szmigielski, Rafal; Vermeylen, Reinhilde; Gomez-Gonzalez, Yadian; Surratt, Jason D.; Chan, Arthur W. H.; Seinfeld, John H.; Maenhaut, Willy; Claeys, Magda; Journal of Mass Spectrometry; vol. 46; nb. 4; (2011); p. 425 - 442, View in Reaxys

ESI (Electrospray ionisation); HRMS (High resolution mass spectrometry); Spectrum

Johansen, Kenneth T.; Wubshet, Sileshi G.; Nyberg, Nils T.; Jaroszewski, Jerzy W.; Journal of Natural Products; vol. 74; nb. 11; (2011); p. 2454 - 2461, View in Reaxys

spectrum; collision-induced dissociation; tandem mass spectrometry

Grossert, J. Stuart; Fancy, Paul D.; White, Robert L.; Canadian Journal of Chemistry; vol. 83; nb. 11; (2005); p. 1878 - 1890, View in Reaxys

spectrum; tandem mass spectrometry

Balamraju, Yuvaraju N.; Sun, Mingjiang; Salomon, Robert G.; Journal of the American Chemical Society; vol. 126; nb. 37; (2004); p. 11522 - 11528, View in Reaxys

spectrum; electron impact (EI)

spectrum

Ziemann, Paul J.; Journal of Physical Chemistry A; vol. 107; nb. 12; (2003); p. 2048 - 2060, View in Reaxys

spectrum; chemical ionization (CI)

Lange, C.; Organic Mass Spectrometry; vol. 28; nb. 11; (1993); p. 1285 - 1296, View in Reaxys

68/239

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spectrum; electron impact (EI)

MIKE (mass ion kinetic energy)

chemical ionization (CI); spectrum

Harrison, Alex. G.; Kallury, R. Krishna Mohan Rao; Krull, Ulrich J.; Thompson, Michael; Organic Mass Spectrometry; vol. 23; (1988); p. 723 - 728, View in Reaxys Wengang, Chai; Guanghui, Wang; Zhiling, Xu; Jiongguang, Pan; Shumin, Duan; Organic Mass Spectrometry; vol. 18; nb. 2; (1983); p. 64 - 68, View in Reaxys Gronneberg; Organic Mass Spectrometry; vol. 12; (1977); p. 769, View in Reaxys; Holmes; Jean; Organic Mass Spectrometry; vol. 3; (1970); p. 1505,1514, View in Reaxys; Wood et al.; Canadian Journal of Chemistry; vol. 56; (1978); p. 1372,1376, View in Reaxys

UV/VIS Spectroscopy (1) 1 of 1

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

ethanol

Ramart-Lucas; Salmon-Legagneur; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences; vol. 189; (1929); p. 916, View in Reaxys; Grunfeld; Annales de Chimie (Cachan, France); vol. <10> 20; (1933); p. 304,367, View in Reaxys ESR Spectroscopy (2) 1 of 2

Description (ESR Spectroscopy)

ENDOR (electron-nuclear double resonance)

Dalton; Kwiram; Journal of Chemical Physics; vol. 57; (1972); p. 1132, View in Reaxys 2 of 2

Description (ESR Spectroscopy)

Spectrum

Molin et al.; Journal of Structural Chemistry; vol. 2; (1961); p. 279; Zhurnal Strukturnoi Khimii; vol. 2; (1961); p. 293, View in Reaxys Raman Spectroscopy (3) Description (Ram- Comment (Raman References an Spectroscopy) Spectroscopy) Spectrum; Bands

Otero, Vanessa; Sanches, Diogo; Montagner, Cristina; Vilarigues, Mrcia; Carlyle, Leslie; Lopes, Joo A.; Melo, Maria J.; Journal of Raman Spectroscopy; vol. 45; nb. 11-12; (2014); p. 1197 - 1206, View in Reaxys

Spectrum

methanol

Fukushima, Kunio; Watanabe, Toshiaki; Umemura, Matome; Journal of Molecular Structure; vol. 146; (1986); p. 61 - 70, View in Reaxys

Bands

neat (no solvent, solid phase)

Fukushima, Kunio; Watanabe, Toshiaki; Umemura, Matome; Journal of Molecular Structure; vol. 146; (1986); p. 61 - 70, View in Reaxys

Pharmacological Data (51) 1 of 51

Comment (Pharmacological Data)

Bioactivities present

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V.; Nazarov; Baidimirov; Russian Journal of Organic Chemistry; vol. 51; nb. 5; (2015); p. 610 - 614, View in Reaxys; Patent; DOW GLOBAL TECHNOLOGIES LLC; SIANAWATI, Emerentiana; WO2015/102833; (2015); (A1) English, View in Reaxys; Patent; GUILIANI S.P.A.; Giuliani, Giammaria; Benedusi, Anna; Mascolo, Antonio; Marzani, Barbara; Bregaglio, Guido; US2015/196480; (2015); (A1) English, View in Reaxys; Prodanov, Maksym F.; Diakov, Maksym Y.; Vlasenko, Ganna S.; Vashchenko, Valerii V.; Synlett; vol. 26; nb. 13; (2015); p. 1905 - 1910; Art.No: ST-2015-D0261-L, View in Reaxys; Romagnoli, Carlo; Baldisserotto, Anna; Malisardi, Gemma; Vicentini, Chiara B.; Mares, Donatella; Andreotti, Elisa; Vertuani, Silvia; Manfredini, Stefano; Molecules; vol. 20; nb. 7; (2015); p. 11765 - 11776, View in Reaxys; Mishra, Manish Kumar; Ramamurty, Upadrasta; Desiraju, Gautam R.; Chemistry - An Asian Journal; vol. 10; nb. 10; (2015); p. 2176 - 2181, View in Reaxys; Kostopoulou, Ourania N.; Magoulas, George E.; Papadopoulos, Georgios E.; Mouzaki, Athanasia; Dinos, George P.; Papaioannou, Dionissios; Kalpaxis, Dimitrios L.; PLoS ONE; vol. 10; nb. 8; (2015); Art.No: E0134526, View in Reaxys; Janczak, Jan; Crystal Growth and Design; vol. 15; nb. 10; (2015); p. 5097 - 5111, View in Reaxys; Stratton, Christopher F.; Newman, David J.; Tan, Derek S.; Bioorganic and Medicinal Chemistry Letters; vol. 25; nb. 21; (2015); p. 4802 - 4807, View in Reaxys; Parshintsev, Jevgeni; Vaikkinen, Anu; Lipponen, Katriina; Vrkoslav, Vladimir; Cvaka, Josef; Kostiainen, Risto; Kotiaho, Tapio; Hartonen, Kari; Riekkola, Marja-Liisa; Kauppila, Tiina J.; Rapid Communications in Mass Spectrometry; vol. 29; nb. 13; (2015); p. 1233 - 1241, View in Reaxys; Patent; ARKEMA FRANCE; Brandhorst, Markus; US2015/299107; (2015); (A1) English, View in Reaxys; Khairudin, Nurshafira; Basri, Mahiran; Fard Masoumi, Hamid Reza; Sarah Samiun, Wan; Samson, Shazwani; RSC Advances; vol. 5; nb. 115; (2015); p. 94909 - 94918, View in Reaxys; Thury, Pierre; Harrowfield, Jack; Inorganic Chemistry; vol. 54; nb. 22; (2015); p. 10539 - 10541, View in Reaxys; Klavina, Laura; Springe, Gunta; Nikolajeva, Vizma; Martsinkevich, Illia; Nakurte, Ilva; Dzabijeva, Diana; Steinberga, Iveta; Molecules; vol. 20; nb. 9; (2015); p. 17221 - 17243, View in Reaxys; Chavan, Snehal A.; Ulhe, Avinash G.; Gharad, Spruha A.; Berad, Baliram N.; Phosphorus, Sulfur and Silicon and the Related Elements; vol. 190; nb. 12; (2015); p. 2315 - 2324, View in Reaxys; Benessere, Vincenzo; Cucciolito, Maria E.; De Santis, Augusta; Di Serio, Martino; Esposito, Roberto; Ruffo, Francesco; Turco, Rosa; Journal of the American Oil Chemists' Society; vol. 92; nb. 11-12; (2015); p. 1701 - 1707, View in Reaxys; Patent; Kulesza, John E.; (10 pag.); US9186310; (2015); (B2) English, View in Reaxys; Miuc, Alen; Vonina, Ernest; Lenik, Uro; Acta Chimica Slovenica; vol. 62; nb. 4; (2015); p. 834 - 848, View in Reaxys 2 of 51

Comment (Pharmacological Data)

physiological behaviour discussed

Tamames-Tabar; Imbuluzqueta; Guillou; Serre; Miller; Elkam; Horcajada; Blanco-Prieto; CrystEngComm; vol. 17; nb. 2; (2015); p. 456 - 462, View in Reaxys 3 of 51

Comment (Pharmacological Data)

physiological behaviour discussed

Ma, Huixian; Yu, Meng; Tan, Fengping; Li, Nan; RSC Advances; vol. 5; nb. 37; (2015); p. 28985 - 28995, View in Reaxys 4 of 51

Comment (Pharmacological Data)

physiological behaviour discussed

Patent; DOW GLOBAL TECHNOLOGIES LLC; SIANAWATI, Emerentiana; WO2015/102833; (2015); (A1) English, View in Reaxys

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5 of 51

Comment (Pharmacological Data)

physiological behaviour discussed

Patent; GUILIANI S.P.A.; Giuliani, Giammaria; Benedusi, Anna; Mascolo, Antonio; Marzani, Barbara; Bregaglio, Guido; US2015/196480; (2015); (A1) English, View in Reaxys 6 of 51

Comment (Pharmacological Data)

physiological behaviour discussed

Lee, Yung-Ping; Kuo, Tzong-Fu; Lee, Shoei-Sheng; Journal of Pharmaceutical and Biomedical Analysis; vol. 111; (2015); p. 311 - 319, View in Reaxys 7 of 51

Comment (Pharmacological Data)

physiological behaviour discussed

Romagnoli, Carlo; Baldisserotto, Anna; Malisardi, Gemma; Vicentini, Chiara B.; Mares, Donatella; Andreotti, Elisa; Vertuani, Silvia; Manfredini, Stefano; Molecules; vol. 20; nb. 7; (2015); p. 11765 - 11776, View in Reaxys 8 of 51

Effect (Pharmacological Data)

bacterial growth; inhibition of

Species or Test-System (Pharmacological Data)

Propionibacterium acnes BCRC-10723 ATCC 6919

Kind of Dosing (Pharma- comparative comp. diluted in dimethyl sulfoxide cological Data) Further Details (Pharma- inhibitory concentration (IC) cological Data) Type (Pharmacological Data)

IC50

Value of Type (Pharmacological Data)

847.6 μg/ml

Liu, Chi-Hsien; Huang, Hsin-Ying; Chemical and Pharmaceutical Bulletin; vol. 61; nb. 4; (2013); p. 419 - 425, View in Reaxys 9 of 51

Effect (Pharmacological Data)

growth; inhibition of

Species or Test-System (Pharmacological Data)

Staphylococcus epidermidis BCRC-11030 ATCC 12228

Kind of Dosing (Pharma- comparative comp. diluted by dimethyl sulfoxide cological Data) Method (Pharmacological Data)

name of assay/method: BacTiter-Glo assay

Type (Pharmacological Data)

IC50

Value of Type (Pharmacological Data)

452.2 &mu;g/ml

Liu, Chi-Hsien; Huang, Hsin-Ying; Chemical and Pharmaceutical Bulletin; vol. 60; nb. 9; (2012); p. 1118 - 1124,7, View in Reaxys 10 of 51

Effect (Pharmacological Data)

growth; inhibition of

Species or Test-System (Pharmacological Data)

Staphylococcus epidermidis BCRC-11030 ATCC 12228

Kind of Dosing (Pharma- comparative comp. diluted by dimethyl sulfoxide cological Data) Method (Pharmacological Data)

name of assay/method: BacTiter-Glo™ assay

Type (Pharmacological Data)

IC50

Value of Type (Pharmacological Data)

452.2 &mu;g/ml

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Liu, Chi-Hsien; Huang, Hsin-Ying; Chemical and Pharmaceutical Bulletin; vol. 60; nb. 9; (2012); p. 1118 - 1124,7, View in Reaxys 11 of 51

Effect (Pharmacological Data)

transporter; inhibition of

Species or Test-System (Pharmacological Data)

HEK293-Flp-In cells; genetically modified/infected with: human OCT2

Concentration (Pharmacological Data)

20 μmol/l

Kind of Dosing (Pharma- title comp. dissolved in DMSO cological Data) Further Details (Pharma- OCT2: organic cation transporter 2 (solute carrier 22A2); HEK: human embryonic kidney; cological Data) fluorescent probe substrate: 4-(4-(dimethylamino)styryl)-N-methyl-pyridinium (ASP+) (5 μmol/l); high-throughput assay; fluorimetry; inhibition rate related to: OCT2 Type (Pharmacological Data)

inhibition rate

Value of Type (Pharmacological Data)

14.3 percent

Location

supporting information

Kido, Yasuto; Matsson, Paer; Giacomini, Kathleen M.; Journal of Medicinal Chemistry; vol. 54; nb. 13; (2011); p. 4548 - 4558, View in Reaxys 12 of 51

Effect (Pharmacological Data)

transporter; inhibition of

Species or Test-System (Pharmacological Data)

HEK293-Flp-In cells; genetically modified/infected with: human OCT2

Concentration (Pharmacological Data)

20 μmol/l

molecular target: human OCT2

Location

supporting information

Kido, Yasuto; Matsson, Paer; Giacomini, Kathleen M.; Journal of Medicinal Chemistry; vol. 54; nb. 13; (2011); p. 4548 - 4558, View in Reaxys 13 of 51

Effect (Pharmacological Data)

pathogen growth; inhibition of

Species or Test-System (Pharmacological Data)

Arabidopsis

Concentration (Pharmacological Data)

1 - 1000 μmol/l

Kind of Dosing (Pharma- title comp. in MES sprayed onto plants 2 days before pathogen infection cological Data) Further Details (Pharma- lowest observed effect concentration (LOEC); LOEC related to: Pseudomonas syringae pv. cological Data) maculicola strain PmaDG3 Type (Pharmacological Data)

LOEC

Value of Type (Pharmacological Data)

100 μmol/l

Jung, Ho Won; Tschaplinski, Timothy J.; Wang, Lin; Glazebrook, Jane; Greenberg, Jean T.; Science; vol. 324; nb. 5923; (2009); p. 89 - 91, View in Reaxys 14 of 51

Effect (Pharmacological Data)

kynurenine aminotransferase II (KAT II); activity of; inhibition of

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Species or Test-System (Pharmacological Data)

liver KAT II of Rat

Method (Pharmacological Data)

EXAMPLE 2Inhibition of kynurenine aminotransferase Il activiy by dicarboxylic acid derivatives and analogs Compounds were tested as inhibitors of kynurenine aminotransferase Il and the IC50 values determined. For the determination of the KAT Il activity, 80 ul of rat liver partially purified KAT Il was incubated (2hrs at 370C with 100 ul of 150 mM Tris-acetate (pH 7.4), 2 uM kynurenine, (2.5 nCi) [3H]- kynurenine 1 mM pyruvate and 70 uM pyridoxal-5'phosphate. Add 20 ul of the inhibitor solution (10X). The reaction was terminated by the addition of 14 ul of 50percent trichloroacetic acid and 1 ml of 0.1 N hydrochloric acid. The denaturated protein was removed by centrifugation and 1ml of the supernatant was applied to a Dowex 50 W H+ cation exchange column which was then washed with 1 ml of 0.1 N hydrochloric acid followed by 1 ml of ultrapure water. [3H]-Kynurenic acid formed was subsequently eluted with 2 x 1 ml of ultrapure water and radioactivity was quantified by liquid scintillation spectrometry.All compounds are in the racemic form, when applicable, unless indicated otherwise. Other untested compounds are commercially available or easily synthesized using standard synthetic methods.

Type (Pharmacological Data)

IC50

Value of Type (Pharmacological Data)

4580 μmol/l

Location

Page/Page column 20-21

Patent; THE UNIVERSITY OF MARYLAND, BALTIMORE; WO2007/64784; (2007); (A1) English, View in Reaxys 15 of 51

Effect (Pharmacological Data)

croton oil-induced edema; effect on

Species or Test-System (Pharmacological Data)

mouse

Method (Pharmacological Data)

The induction of an inflammatory reaction (irritative contact dermatitis) is a proven model for pharmacological evaluation of the anti-inflammatory potential of topically or systemically administered test substances (Trancik and Lowe (1985) Evaluation of Topical Nonsteroidal Anti- Inflammatory Agents, Models in Dermatology, H. Maibach and N. J. Lowe. Basel, Karger: 35-42).Croton oil is applied to the ears of mice to carry out the study; this leads to an acute, inflammatory reaction with edema and infiltration of primarily polymorphonuclear granulocytes that reaches its peak within 24 hours. Test substance can be applied here either preventively, i.e., before application of the inflammatory stimulus, or simultaneously with croton oil.In this test, 1percent croton oil in ethanol/isopropyl myristate as the vehicle was applied at time t = 0 h. The vehicle alone acted as the vehicle control. The substances azelaic acid (10 - 20percent) and tretinoin (0.05percent) were applied to the mouse ear either alone or as a combination, simultaneously

Location

Page/Page column 8-12; 1/3

Comment (Pharmacological Data)

No effect

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys 16 of 51

Effect (Pharmacological Data)

croton oil-induced elastase activity; inhibition of

Species or Test-System (Pharmacological Data)

mouse

Method (Pharmacological Data)

A corresponding finding also arises from the determination of the elastase activity as a measure of the inhibition of skin infiltration of neutrophils. Croton oil causes an increase in the concentration of neutrophilic elastase, due to cell infiltration by neutrophils within the framework of inflammation. The corresponding values for the elastase activity are shown in Figure 2 as a bar chart. These values reflect the result that corresponds to Figure 1, i.e., the values cannot be significantly influenced by azelaic acid application alone in a concentration range of 10-15percent (3, 4). Neutrophilic elastase was reduced only by 20percent azelaic acid (5). A single application of tretinoin 0.05percent (6) in the same manner as that of azelaic acid 10-15percent (3, 4) did not lead to a decrease of the elastase concentration in the ear homogenate. Surprisingly enough, however, the combination of azelaic acid 10-15percent with tretinoin 0.05percent (7, 8) led to a significant reduction of ear inflammation, measured on the elastase concentration in the ear homogenate. This in turn confirms a synergistic mechanism in the combination of the two therapeutic agents. This could no longer be detected for 20percent azelaic acid (9) since in this concentration of the substance, a very

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pronounced inhibition of elastase was already detectable, which then could no longer be further increased by additional application of tretinoin. Results

title compound at 10-15percent conc reduced the neutrophilic elastase only by 20percent ; figure is given

Location

Page/Page column 8-12; 2/3

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys 17 of 51

Effect (Pharmacological Data)

croton oil-induced myelo-peroxidase activity; inhibition of

Species or Test-System (Pharmacological Data)

mouse

Method (Pharmacological Data)

Figure 3 shows, likewise in the form of a bar chart, peroxidase activity as a measure of the inhibition of skin infiltration of monocytes and granulocytes. Croton oil causes an increase in the concentration of peroxidase, due to cell infiltration by granulocytes and monocytes within the framework of inflammation. The latter could already be influenced in 2 out of 3 applied azelaic acid concentrations (3, 5). A single application of tretinoin 0.05percent (6), however, did not lead to a significant decrease of peroxidase concentration. However, in the combined administration of the two therapeutic agents (7, 8, 9), especially at a concentration of 15-20percent (8, 9), in turn a significant inhibition of this parameter was induced, which indicates a synergistic effect.

Results

title compound at 10-15percent concentration inhibited myelo-peroxidase activity by -16 -40percent; figure is given

Location

Page/Page column 8-12; 3/3

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys 18 of 51

Effect (Pharmacological Data)

luciferase activity; induction of

Species or Test-System (Pharmacological Data)

CRE-luciferase transfected cells, expressing MOR31-6 odorant receptor

Method (Pharmacological Data)

Previous studies demonstrated that single olfactory neurons that are activated by aliphatic alcohols and acids express specific ORs, primarily class I (fish-like) ORs (see, e.g., Malnic, B., et al. (1999) Cell 96, 713-723; Zhang, X., and Firestein, S. (2002) Nat Neurosci 5, 124-133; each herein incorporated by reference in their entireties). Four ORs (S6/79, S18, S46 and S50) previously assayed using other techniques (see, e.g., Malnic, B., et al. (1999) Cell 96, 713-723; herein incorporated by reference in its entirety) were tested against an assay panel of aliphatic alcohols, aldehydes and acids and some other odorants. Additionally, five "orphan" class I ORs (MOR23-1, MOR31-4, MOR31-6, MOR32-5 and MOR32-11) whose cognate ligands were unknown were tested. At a suprathreshold concentration of 100 uM, all these ORs were odorant selective, responding to only a small subset of the odorants tested (see FIG. 11A). This specificity was retained at lower, more physiologically relevant concentrations. Many of these ORs responded to odorants present in micromolar concentrations. The cell-surface expression of these ORs by living-cell immunofluorescence were evaluated. Some ORs (S18, MOR31-4, MOR31-6 and MOR32-5) were strongly expressed while other ORs (S6, S50, MOR23-1, MOR32-11) were weakly expressed (see FIG. 12). The present invention is not limited to a particular mechanism. Indeed, an understanding of the mechanism is not necessary to practice the present invention. Nonetheless, these results suggest that weak expression was sufficient to produce a significant response to odorants at physiologically relevant concentrations. Finally, two additional orphan class II ORs, MOR203-1 and olfr62, were tested against a panel of 139 odorants. MOR203-1 responded to high concentrations of nonanoic acid (see FIG. 11B). Olfr62 responded to coumarine and piperonal (see FIG. 11C). Several related aromatic compounds were next tested and 2coumaranone was identified as a preferred ligand for olfr62 (see FIG. 11C). When parental 293T cells for these ORs were used in this luciferase assay, little or no response to the odorants was observed. The present invention is not limited to a particular mechanism. Indeed, an understanding of the mechanism is not necessary to pract Luciferase Assay DualGlo system (Promega) for luciferase assay was used. CRE-Luciferase (Stratagene) was used to measure the receptor activities. Renilla luciferase driven by constitutively active SV40 promoter (pRL-SV40: Promega) was used as an internal control. Cells were plated on poly-D-lysine coated 96 well plates (BIOCOAT, Beckton Dickinson). After 8 hours (for experiments shown in FIG. 8B and 8C) or 12 hours (for experiments shown in FIG. 8D and FIG. 11) after transfection, the medium was replaced with CD293 chemically defined medium (Invitrogen) and the plates were incubated for one hour at 37 degrees C. The medium was replaced with 50 ul of odorant solutions dissolved in CD293 and incubated for 10 hours (for experiments shown in FIG. 8B and 8C) or 4 hours (for experiments shown in FIG. 8D and FIG. 11) at 37 degrees C. The manufacture's protocol for measuring luciferase and Renilla

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luciferase activities was followed. Luminescence was measured using Wallac Victor 1420 (Perkin-Elmer). Normalized luciferase activity was calculated as [Luc (N)-Luc (0)]/RL (N), where Luc (N)=Luminescent count of a certain well, Luc (0)=Luminescent count without odorant for each OR, and RL (N)=Luminescent count of Renilla Luciferase of each well. For cAMP assays, cells were plated onto 24-well plate. OREG or OREG/Golf cDNA was transfected into Hana3a or HEK293-Tcells, respectively. 14 hours after transfection, the cells were incubated in CD293 for 2 hrs, and exposed to eugenol or isoproterenol in MEM containing 10 mM Hepes and 500 uM IBMX for 5 min. cAMP-Screen Direct System (Applied Biosystems) was used to measure the cAMP levels. Prism software (Graphpad) was used for data analysis. Location

Page/Page column 4; 37-38; 41; sheet 13

Comment (Pharmacological Data)

No effect

Patent; Duke University; US2006/57640; (2006); (A1) English, View in Reaxys 19 of 51

Effect (Pharmacological Data)

luciferase activity; induction of

Species or Test-System (Pharmacological Data)

CRE-luciferase transfected cells, expressing MOR32-5 odorant receptor

Method (Pharmacological Data)

Location

Page/Page column 4; 37-38; 41; sheet 13

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Comment (Pharmacological Data)

No effect

Patent; Duke University; US2006/57640; (2006); (A1) English, View in Reaxys 20 of 51

Effect (Pharmacological Data)

luciferase activity; induction of

Species or Test-System (Pharmacological Data)

CRE-luciferase transfected cells, expressing MOR32-11 odorant receptor

Method (Pharmacological Data)

Location

Page/Page column 4; 37-38; 41; sheet 13

Comment (Pharmacological Data)

No effect

Patent; Duke University; US2006/57640; (2006); (A1) English, View in Reaxys 21 of 51

Effect (Pharmacological Data)

luciferase activity; induction of

Species or Test-System (Pharmacological Data)

CRE-luciferase transfected cells, expressing MOR31-4 odorant receptor

Method (Pharmacological Data)

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124-133; each herein incorporated by reference in their entireties). Four ORs (S6/79, S18, S46 and S50) previously assayed using other techniques (see, e.g., Malnic, B., et al. (1999) Cell 96, 713-723; herein incorporated by reference in its entirety) were tested against an assay panel of aliphatic alcohols, aldehydes and acids and some other odorants. Additionally, five "orphan" class I ORs (MOR23-1, MOR31-4, MOR31-6, MOR32-5 and MOR32-11) whose cognate ligands were unknown were tested. At a suprathreshold concentration of 100 uM, all these ORs were odorant selective, responding to only a small subset of the odorants tested (see FIG. 11A). This specificity was retained at lower, more physiologically relevant concentrations. Many of these ORs responded to odorants present in micromolar concentrations. The cell-surface expression of these ORs by living-cell immunofluorescence were evaluated. Some ORs (S18, MOR31-4, MOR31-6 and MOR32-5) were strongly expressed while other ORs (S6, S50, MOR23-1, MOR32-11) were weakly expressed (see FIG. 12). The present invention is not limited to a particular mechanism. Indeed, an understanding of the mechanism is not necessary to practice the present invention. Nonetheless, these results suggest that weak expression was sufficient to produce a significant response to odorants at physiologically relevant concentrations. Finally, two additional orphan class II ORs, MOR203-1 and olfr62, were tested against a panel of 139 odorants. MOR203-1 responded to high concentrations of nonanoic acid (see FIG. 11B). Olfr62 responded to coumarine and piperonal (see FIG. 11C). Several related aromatic compounds were next tested and 2coumaranone was identified as a preferred ligand for olfr62 (see FIG. 11C). When parental 293T cells for these ORs were used in this luciferase assay, little or no response to the odorants was observed. The present invention is not limited to a particular mechanism. Indeed, an understanding of the mechanism is not necessary to pract Luciferase Assay DualGlo system (Promega) for luciferase assay was used. CRE-Luciferase (Stratagene) was used to measure the receptor activities. Renilla luciferase driven by constitutively active SV40 promoter (pRL-SV40: Promega) was used as an internal control. Cells were plated on poly-D-lysine coated 96 well plates (BIOCOAT, Beckton Dickinson). After 8 hours (for experiments shown in FIG. 8B and 8C) or 12 hours (for experiments shown in FIG. 8D and FIG. 11) after transfection, the medium was replaced with CD293 chemically defined medium (Invitrogen) and the plates were incubated for one hour at 37 degrees C. The medium was replaced with 50 ul of odorant solutions dissolved in CD293 and incubated for 10 hours (for experiments shown in FIG. 8B and 8C) or 4 hours (for experiments shown in FIG. 8D and FIG. 11) at 37 degrees C. The manufacture's protocol for measuring luciferase and Renilla luciferase activities was followed. Luminescence was measured using Wallac Victor 1420 (Perkin-Elmer). Normalized luciferase activity was calculated as [Luc (N)-Luc (0)]/RL (N), where Luc (N)=Luminescent count of a certain well, Luc (0)=Luminescent count without odorant for each OR, and RL (N)=Luminescent count of Renilla Luciferase of each well. For cAMP assays, cells were plated onto 24-well plate. OREG or OREG/Golf cDNA was transfected into Hana3a or HEK293-Tcells, respectively. 14 hours after transfection, the cells were incubated in CD293 for 2 hrs, and exposed to eugenol or isoproterenol in MEM containing 10 mM Hepes and 500 uM IBMX for 5 min. cAMP-Screen Direct System (Applied Biosystems) was used to measure the cAMP levels. Prism software (Graphpad) was used for data analysis. Location

Page/Page column 4; 37-38; 41; sheet 13

Comment (Pharmacological Data)

No effect

Patent; Duke University; US2006/57640; (2006); (A1) English, View in Reaxys 22 of 51

Effect (Pharmacological Data)

luciferase activity; induction of

Species or Test-System (Pharmacological Data)

CRE-luciferase transfected cells, expressing S6/S79 odorant receptor

Method (Pharmacological Data)

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The present invention is not limited to a particular mechanism. Indeed, an understanding of the mechanism is not necessary to practice the present invention. Nonetheless, these results suggest that weak expression was sufficient to produce a significant response to odorants at physiologically relevant concentrations. Finally, two additional orphan class II ORs, MOR203-1 and olfr62, were tested against a panel of 139 odorants. MOR203-1 responded to high concentrations of nonanoic acid (see FIG. 11B). Olfr62 responded to coumarine and piperonal (see FIG. 11C). Several related aromatic compounds were next tested and 2coumaranone was identified as a preferred ligand for olfr62 (see FIG. 11C). When parental 293T cells for these ORs were used in this luciferase assay, little or no response to the odorants was observed. The present invention is not limited to a particular mechanism. Indeed, an understanding of the mechanism is not necessary to pract Luciferase Assay DualGlo system (Promega) for luciferase assay was used. CRE-Luciferase (Stratagene) was used to measure the receptor activities. Renilla luciferase driven by constitutively active SV40 promoter (pRL-SV40: Promega) was used as an internal control. Cells were plated on poly-D-lysine coated 96 well plates (BIOCOAT, Beckton Dickinson). After 8 hours (for experiments shown in FIG. 8B and 8C) or 12 hours (for experiments shown in FIG. 8D and FIG. 11) after transfection, the medium was replaced with CD293 chemically defined medium (Invitrogen) and the plates were incubated for one hour at 37 degrees C. The medium was replaced with 50 ul of odorant solutions dissolved in CD293 and incubated for 10 hours (for experiments shown in FIG. 8B and 8C) or 4 hours (for experiments shown in FIG. 8D and FIG. 11) at 37 degrees C. The manufacture's protocol for measuring luciferase and Renilla luciferase activities was followed. Luminescence was measured using Wallac Victor 1420 (Perkin-Elmer). Normalized luciferase activity was calculated as [Luc (N)-Luc (0)]/RL (N), where Luc (N)=Luminescent count of a certain well, Luc (0)=Luminescent count without odorant for each OR, and RL (N)=Luminescent count of Renilla Luciferase of each well. For cAMP assays, cells were plated onto 24-well plate. OREG or OREG/Golf cDNA was transfected into Hana3a or HEK293-Tcells, respectively. 14 hours after transfection, the cells were incubated in CD293 for 2 hrs, and exposed to eugenol or isoproterenol in MEM containing 10 mM Hepes and 500 uM IBMX for 5 min. cAMP-Screen Direct System (Applied Biosystems) was used to measure the cAMP levels. Prism software (Graphpad) was used for data analysis. Results

receptor responded to the test compound; figure given

Location

Page/Page column 4; 37-38; 41; sheet 13

Patent; Duke University; US2006/57640; (2006); (A1) English, View in Reaxys 23 of 51

Effect (Pharmacological Data)

luciferase activity; induction of

Species or Test-System (Pharmacological Data)

CRE-luciferase transfected cells, expressing S18 odorant receptor

Method (Pharmacological Data)

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SV40 promoter (pRL-SV40: Promega) was used as an internal control. Cells were plated on poly-D-lysine coated 96 well plates (BIOCOAT, Beckton Dickinson). After 8 hours (for experiments shown in FIG. 8B and 8C) or 12 hours (for experiments shown in FIG. 8D and FIG. 11) after transfection, the medium was replaced with CD293 chemically defined medium (Invitrogen) and the plates were incubated for one hour at 37 degrees C. The medium was replaced with 50 ul of odorant solutions dissolved in CD293 and incubated for 10 hours (for experiments shown in FIG. 8B and 8C) or 4 hours (for experiments shown in FIG. 8D and FIG. 11) at 37 degrees C. The manufacture's protocol for measuring luciferase and Renilla luciferase activities was followed. Luminescence was measured using Wallac Victor 1420 (Perkin-Elmer). Normalized luciferase activity was calculated as [Luc (N)-Luc (0)]/RL (N), where Luc (N)=Luminescent count of a certain well, Luc (0)=Luminescent count without odorant for each OR, and RL (N)=Luminescent count of Renilla Luciferase of each well. For cAMP assays, cells were plated onto 24-well plate. OREG or OREG/Golf cDNA was transfected into Hana3a or HEK293-Tcells, respectively. 14 hours after transfection, the cells were incubated in CD293 for 2 hrs, and exposed to eugenol or isoproterenol in MEM containing 10 mM Hepes and 500 uM IBMX for 5 min. cAMP-Screen Direct System (Applied Biosystems) was used to measure the cAMP levels. Prism software (Graphpad) was used for data analysis. Location

Page/Page column 4; 37-38; 41; sheet 13

Comment (Pharmacological Data)

No effect

Patent; Duke University; US2006/57640; (2006); (A1) English, View in Reaxys 24 of 51

Effect (Pharmacological Data)

luciferase activity; induction of

Species or Test-System (Pharmacological Data)

CRE-luciferase transfected cells, expressing S46 odorant receptor

Method (Pharmacological Data)

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cAMP assays, cells were plated onto 24-well plate. OREG or OREG/Golf cDNA was transfected into Hana3a or HEK293-Tcells, respectively. 14 hours after transfection, the cells were incubated in CD293 for 2 hrs, and exposed to eugenol or isoproterenol in MEM containing 10 mM Hepes and 500 uM IBMX for 5 min. cAMP-Screen Direct System (Applied Biosystems) was used to measure the cAMP levels. Prism software (Graphpad) was used for data analysis. Location

Page/Page column 4; 37-38; 41; sheet 13

Comment (Pharmacological Data)

No effect

Patent; Duke University; US2006/57640; (2006); (A1) English, View in Reaxys 25 of 51

Effect (Pharmacological Data)

luciferase activity; induction of

Species or Test-System (Pharmacological Data)

CRE-luciferase transfected cells, expressing S50 odorant receptor

Method (Pharmacological Data)

Results

receptor responded to high concentrations of the test compound; figure given

Location

Page/Page column 4; 37-38; 41; sheet 13

Patent; Duke University; US2006/57640; (2006); (A1) English, View in Reaxys

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26 of 51

Effect (Pharmacological Data)

luciferase activity; induction of

Species or Test-System (Pharmacological Data)

CRE-luciferase transfected cells, expressing MOR23-1 odorant receptor

Method (Pharmacological Data)

Location

Page/Page column 4; 37-38; 41; sheet 13

Comment (Pharmacological Data)

No effect

Patent; Duke University; US2006/57640; (2006); (A1) English, View in Reaxys 27 of 51

Effect (Pharmacological Data)

complement activity; inhibition of

Species or Test-System (Pharmacological Data)

human serum

Method (Pharmacological Data)

ELISA

Type (Pharmacological Data)

IC50

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Value of Type (Pharmacological Data)

3.81 mmol/l

Bureeva, Svetlana V.; Andia-Pravdivy, Julian E.; Bichucher, Anna M.; Orishchenko, Dmitry A.; Kaplun, Alexander P.; Mendeleev Communications; nb. 6; (2005); p. 253 - 256, View in Reaxys 28 of 51

Effect (Pharmacological Data)

sebum production; inhibition of

Species or Test-System (Pharmacological Data)

sebocytes of human

Method (Pharmacological Data)

The test which was developed consisted of measuring, after 2 days of treatment, the quantity of lipids produced by sebocytes from an immortalized human line (in the presence or absence of active agents). The fluorescence emitted by RED NILE dye was measured at two distinct wavelengths to quantify the amount of characteristic neutral lipids of the sebum. Glucocorticoids are known to reduce the production of sebum in non acneic subjects (Leveque, J. L. et al., (1991)). Thus, cortisol was selected as a reference, while the culture medium alone was selected as the control (no supplemental excipient was added either to the cortisol or to the azelaic acid, these latter being dissolved in the culture medium under the test conditions).

Results

title compound inhibited sebum production at 1 μM by 7percent compared to 29percent for 0.1 μM cortisol

Location

Page/Page column 5

Patent; L'OREAL; US2005/244360; (2005); (A1) English, View in Reaxys 29 of 51

Effect (Pharmacological Data)

cytoprotective

Species or Test-System (Pharmacological Data)

SZ 95 sebocytes

Method (Pharmacological Data)

The tolerability of azelaic acid was measured by measuring the cytotoxicty of the product using SZ 95 sebocytes (Zouboulis, Seltmann et al., 1999). The test conditions were the same as those given in Example 1. The cytotoxicity was measured by the production of LDH in the culture medium.

Results

title compound at 1 μM improved sebocyte survival

Location

Page/Page column 5-6

Patent; L'OREAL; US2005/244360; (2005); (A1) English, View in Reaxys 30 of 51

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Escherichia coli ATCC 8739

Kind of Dosing (Pharma- title comp. as 20 percent Acne-derm cream, 20 percent Hascoderm cream and 20 percent cological Data) Skinoren cream tested Method (Pharmacological Data)

blotting-paper disks soaked with 10 percent (v/w) solution of title comp. in 0.08 mol/l phosphate buffer, pH 7.0; placed onto Mueller-Hinton 2 Agar; inoculated with bacterium; inhib. of bacterial growth determined

Comment (Pharmacological Data)

No effect

Kruszewska, Hanna; Zareba, Tomasz; Tyski, Stefan; Acta poloniae pharmaceutica; vol. 61 Suppl; (2004); p. 18 21, View in Reaxys 31 of 51

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Staphylococcus aureus ATCC 6538P

Kind of Dosing (Pharma- title comp. as 20 percent Acne-derm cream, 20 percent Hascoderm cream and 20 percent cological Data) Skinoren cream tested Method (Pharmacological Data)

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Comment (Pharmacological Data)

No effect

Kruszewska, Hanna; Zareba, Tomasz; Tyski, Stefan; Acta poloniae pharmaceutica; vol. 61 Suppl; (2004); p. 18 21, View in Reaxys 32 of 51

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Pseudomonas aeruginosa ATCC 15442

Kind of Dosing (Pharma- title comp. as 20 percent Acne-derm cream, 20 percent Hascoderm cream and 20 percent cological Data) Skinoren cream tested Method (Pharmacological Data)

Comment (Pharmacological Data)

No effect

Kruszewska, Hanna; Zareba, Tomasz; Tyski, Stefan; Acta poloniae pharmaceutica; vol. 61 Suppl; (2004); p. 18 21, View in Reaxys 33 of 51

Effect (Pharmacological Data)

antifungal

Species or Test-System (Pharmacological Data)

Candida albicans ATCC 10231

Kind of Dosing (Pharma- title comp. as 20 percent Acne-derm cream, 20 percent Hascoderm cream and 20 percent cological Data) Skinoren cream tested Method (Pharmacological Data)

blotting-paper disks soaked with 10 percent (v/w) solution of title comp. in 0.08 mol/l phosphate buffer, pH 7.0; placed onto Mueller-Hinton 2 Agar; inoculated with fungus; growth inhib. determined

Comment (Pharmacological Data)

No effect

Kruszewska, Hanna; Zareba, Tomasz; Tyski, Stefan; Acta poloniae pharmaceutica; vol. 61 Suppl; (2004); p. 18 21, View in Reaxys 34 of 51

Effect (Pharmacological Data)

enzyme; inhib. of

Species or Test-System (Pharmacological Data)

acetylcholinesterase

Method (Pharmacological Data)

activity by modified method of Ellman and co-workers; spectrophotometry

Type (Pharmacological Data)

IC50

Value of Type (Pharmacological Data)

> 300 μmol/l

Lee, Ki Yong; Sung, Sang Hyun; Kim, Young Choong; Helvetica Chimica Acta; vol. 86; nb. 2; (2003); p. 474 - 483, View in Reaxys 35 of 51

Effect (Pharmacological Data)

enzyme; inhib. of

Species or Test-System (Pharmacological Data)

malate dehydrogenase

Concentration (Pharmacological Data)

400 μmol/l

Method (Pharmacological Data)

enzymatic assay; oxalacetic acid used as a substrate; in the presence of β-nicotinamide adenine dinucleotide; phosphate buffer, pH 7.0; room temp.; reaction monitored spectrophotometrically

Results

8 percent inhibition

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Seidler, James; McGovern, Susan L.; Doman, Thompson N.; Shoichet, Brian K.; Journal of Medicinal Chemistry; vol. 46; nb. 21; (2003); p. 4477 - 4486, View in Reaxys 36 of 51

Effect (Pharmacological Data)

enzyme; inhib. of

Species or Test-System (Pharmacological Data)

α-chymotrypsin

Concentration (Pharmacological Data)

250 μmol/l

Method (Pharmacological Data)

enzymatic assay; N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide (200 μmol/L) used as a substrate; phosphate buffer, pH 7.0; room temp.; hydrolysis of substrate monitored spectrophotometrically

Results

less than 5 percent inhibition

Seidler, James; McGovern, Susan L.; Doman, Thompson N.; Shoichet, Brian K.; Journal of Medicinal Chemistry; vol. 46; nb. 21; (2003); p. 4477 - 4486, View in Reaxys 37 of 51

Effect (Pharmacological Data)

enzyme; inhib. of

Species or Test-System (Pharmacological Data)

AmpC β-lactamase

Concentration (Pharmacological Data)

100 μmol/l

Method (Pharmacological Data)

enzymatic assay; nitrocefin (200 μmol/L) used as a substrate; phosphate buffer, pH 7.0; room temp.; hydrolysis of substrate monitored spectrophotometrically

Results

less than 5 percent inhibition

Seidler, James; McGovern, Susan L.; Doman, Thompson N.; Shoichet, Brian K.; Journal of Medicinal Chemistry; vol. 46; nb. 21; (2003); p. 4477 - 4486, View in Reaxys 38 of 51

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Escherichia coli

Concentration (Pharmacological Data)

0.78E-2 - 2.5E-2 μmol/ml

Kind of Dosing (Pharma- dissolved in DMSO at conc. 5E-2 μmol/ml, added to medium cological Data) Method (Pharmacological Data)

tube dilution method; title comp. stock solution serially diluted in double strength nutrient broth; inoculated tubes incubated 24 h at 37 deg C; MIC determined

Type (Pharmacological Data)

log(1/MIC)

Value of Type (Pharmacological Data)

2.29 dimensionless

Narasimhan; Kothawade; Pharande; Mourya; Dhake; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 42; nb. 11; (2003); p. 2828 - 2834, View in Reaxys 39 of 51

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Bacillus subtilis

Concentration (Pharmacological Data)

0.78E-2 - 2.5E-2 μmol/ml

Kind of Dosing (Pharma- dissolved in DMSO at conc. 5E-2 μmol/ml, added to medium cological Data) Method (Pharmacological Data)

tube dilution method; title comp. stock solution serially diluted in double strength nutrient broth; inoculated tubes incubated 24 h at 37 deg C; MIC determined

Type (Pharmacological Data)

log(1/MIC)

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Value of Type (Pharmacological Data)

2.64 dimensionless

Narasimhan; Kothawade; Pharande; Mourya; Dhake; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 42; nb. 11; (2003); p. 2828 - 2834, View in Reaxys 40 of 51

Effect (Pharmacological Data)

antibacterial

Species or Test-System (Pharmacological Data)

Staphylococcus aureus

Concentration (Pharmacological Data)

0.78E-2 - 2.5E-2 μmol/ml

Kind of Dosing (Pharma- dissolved in DMSO at conc. 5E-2 μmol/ml, added to medium cological Data) Method (Pharmacological Data)

tube dilution method; title comp. stock solution serially diluted in double strength nutrient broth; inoculated tubes incubated 24 h at 37 deg C; MIC determined

Type (Pharmacological Data)

log(1/MIC)

Value of Type (Pharmacological Data)

2.39 dimensionless

Narasimhan; Kothawade; Pharande; Mourya; Dhake; Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry; vol. 42; nb. 11; (2003); p. 2828 - 2834, View in Reaxys 41 of 51

Effect (Pharmacological Data)

enzyme; inhib. of

Species or Test-System (Pharmacological Data)

dethiobiotin synthetase (DTBS)

Method (Pharmacological Data)

DTBS of Escherichia coli (E.C. 6.6.6.6); determination of Ki values in solution containing 7R, 8S-diaminopelargonic acid as substrate, ATP, MgCl2 and NaHCO3; at pH 7.5

Further Details (Pharma- coupled spectrophotometric assays for either ADP or inorganic phosphate cological Data) Results

Ki: 16 μM at low ATP level and 90 μM at high ATP level

Comment (Pharmacological Data)

inhibition of lipopolysaccharide-induced NO production in cultured mouse peritoneal macrophages

Yoshikawa, Masayuki; Murakami, Toshiyuki; Shimada, Hiromi; Yoshizumi, Satoshi; Saka, Masami; Yamahara, Johji; Matsuda, Hisashi; Chemical and Pharmaceutical Bulletin; vol. 46; nb. 6; (1998); p. 1008 - 1014, View in Reaxys 43 of 51

Comment (Pharmacological Data)

inhibition of monophenolase and diphenolase activities of mushroom polyphenol oxidase

Espin, Juan Carlos; Jolivet, Sylvie; Wichers, Harry J.; Journal of Agricultural and Food Chemistry; vol. 46; nb. 8; (1998); p. 2976 - 2980, View in Reaxys 44 of 51

Effect (Pharmacological Data)

anticancer, other

Species or Test-System (Pharmacological Data)

human melanoma cell line MM96E

Concentration (Pharmacological Data)

2000 mg/l

Method (Pharmacological Data)

culture grown in Rosewell Park Memorial Institute 1640 medium supplemented with 5 percent fetal calf serum; cell survival test: 25000 cells seeded in 24 wells; treated with title compound for 24 h; washed; incubated for 3 days; cells counted

Further Details (Pharma- tyrosinase activity measured by oxidation of L-dopa; immunoblotting: BSG3 mouse monocological Data) clonal antibody supernatant against TRP-1 or HMB-45 mouse antibody (diluted 1:250) followed by alkaline phosphatase-conjugated anti-mouse antibody; laser densitometer

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Results

growth inhibition; antigenic expression ( percent of control) = 54 (TRP-1), 81 (HMB-45)

Parsons; Hansen; Fairlie; West; Danoy; Sturm; Dunn; Pedley; Ablett; Biochemical Pharmacology; vol. 53; nb. 11; (1997); p. 1719 - 1724, View in Reaxys 45 of 51

Effect (Pharmacological Data)

anticancer, other

Species or Test-System (Pharmacological Data)

human melanoma cell line MM418c5

Concentration (Pharmacological Data)

2000 mg/l

Method (Pharmacological Data)

growth inhibition; antigenic expression ( percent of control) = 75 (TRP-1), 47 (HMB-45)

Parsons; Hansen; Fairlie; West; Danoy; Sturm; Dunn; Pedley; Ablett; Biochemical Pharmacology; vol. 53; nb. 11; (1997); p. 1719 - 1724, View in Reaxys 46 of 51

Comment (Pharmacological Data)

inhibition of rat liver cyclic AMP-dependent (cAK), wheat embryo Ca2+-dependent (CDPK), rat brain Ca2+- and phospholipid-dependent C (PKC), and avian calmodulin-dependent myosin light chain (MLCK) protein kinases

Wang, Bing Hui; Polya, Gideon M.; Phytochemistry; vol. 41; nb. 1; (1996); p. 55 - 63, View in Reaxys 47 of 51

Effect (Pharmacological Data)

transport

Species or Test-System (Pharmacological Data)

rabbit renal basolateral membrane vesicles

Concentration (Pharmacological Data)

1 mmol/l

Kind of Dosing (Pharma- as azeleate cological Data) Exposure Period (Pharmacological Data)

10 s

Method (Pharmacological Data)

in vitro; vesicles isolated from rabbit renal cortex of male New Zealand white rabbits (2-3 kg) and preincubated in 4 mM KPAH; 50 μM <H>labeled drug; 37 deg C; pH 7.5; inhibition of PAH gradient-induced <3H>PAH intravesicular accumulation determined

Results

slightly reduced PAH gradient-induced <3H>PAH uptake (66.5 percent control uptake)

Makhuli; Polkowski; Grassl; Journal of Pharmacology and Experimental Therapeutics; vol. 273; nb. 1; (1995); p. 146 - 153, View in Reaxys 48 of 51

Effect (Pharmacological Data)

transport

Species or Test-System (Pharmacological Data)

opossum OK cells

Concentration (Pharmacological Data)

1 mmol/l

Exposure Period (Pharmacological Data)

1 min

Method (Pharmacological Data)

OK cells cultured in medium 199 with 10 percent fetal bovine serum; benzylpenicillin (PCG) uptake from basal side of OK cell monolayers; <(3)H>PCG (15 μM) and <(14)C>sucrose (15 μM) added to the basal side; PBS medium

Further Details (Pharma- incubated at 37 deg C; radioactivity detd. by liquid scintillation counting cological Data) Results

title compd. strongly inhibited the uptake of PCG from the basal side of OK cell monolayers

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Nagai; Takano; Hirozane; Yasuhara; Inui; Journal of Pharmacology and Experimental Therapeutics; vol. 274; nb. 3; (1995); p. 1161 - 1166, View in Reaxys 49 of 51

Effect (Pharmacological Data)

transport

Species or Test-System (Pharmacological Data)

opossum OK cells

Concentration (Pharmacological Data)

1 mmol/l

Exposure Period (Pharmacological Data)

1 min

Method (Pharmacological Data)

OK cells cultured in medium 199 with 10 percent fetal bovine serum; p-aminohippurate (PAH) uptake from the basal side of OK cells monolayers measured; <(14)C>PAH (15 μM) and <(3)H>mannitol (15 μM) added to basal side; PBS medium; incubated at 37 deg C;

Further Details (Pharma- radioactivity determined by liquid scintillation counting cological Data) Results

title compd. strongly inhibited the basolateral uptake of PAH

Nagai; Takano; Hirozane; Yasuhara; Inui; Journal of Pharmacology and Experimental Therapeutics; vol. 274; nb. 3; (1995); p. 1161 - 1166, View in Reaxys 50 of 51

Comment (Pharmacological Data)

transport through hairless mouse skin, flux = O.693 mg*cm-2*h-1 for microemulsion containing 3.6percent of acid

Pattarino; Eugenia Carlotti; Gasco; Pharmazie; vol. 49; nb. 1; (1994); p. 72 - 73, View in Reaxys 51 of 51

Comment (Pharmacological Data)

no efficiency for the formation of biotin by resting cells of Bacillus sp.

Oshugi, Masahiro; Inoue, Yasuko; Iwatani, Noriko; Tsukamoto, Masako; Agricultural and Biological Chemistry; vol. 47; nb. 5; (1983); p. 1129 - 1132, View in Reaxys Ecotoxicology (2) 1 of 2

Effect (Ecotoxicology)

toxicity to bacteria

Species or Test-System (Ecotoxicology)

Shk1 cells

Kind of Dosing (Ecotoxi- assay solutions made by making serial dilutions of stock solutions; test solutions admin. at cology) a 1:3 volume ratio (Shk1 cell sol. : test solution) Method (Ecotoxicology)

continuous-stirred tank reactor; dilution rate of 0.52 h-1; pH 7; 22 deg C; bioluminescence measured after exposure for 5 min

Further Details (Ecotoxi- Shk1 is genetically modified luminescent bacterium whose original strain Pseudomonad, cology) isolated from the activated sludge; control = buffer (pH: 7) Type (Ecotoxicology)

EC50

Value of Type (Ecotoxicology)

209 mg/l

Frymier; Ren; Water Research; vol. 36; nb. 17; (2002); p. 4406 - 4414, View in Reaxys 2 of 2

Effect (Ecotoxicology)

phytotoxicity

Species or Test-System (Ecotoxicology)

Arabidopsis thaliana

Concentration (Ecotoxicology)

1 - 100 mg/l

Method (Ecotoxicology)

agar-based assay; title comp. was applied at doses 0, 1, 10, 100 mg/l to the agar prior to germination of seedlings; phytotoxicity was determined by rating the effects visually after germination relative to untreated control

Results

title comp. did not affect germination; no herbicidal effect at <10 mg/l

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Exposure

Sources

presence in PM2.5 samples of emissions from prescribed burnings (Nevada Great Basin, Yosimite National Park's Mariposa Grove, CA and Toiyabye National Forest, NV), wildland fuel, simulated residential wood and agricultural combustions

biomass combus- Mazzoleni, Lynn R.; Zielinska, Barbara; Moosmueller, Hans; Environmental Science tion; pyrolysis and Technology; vol. 41; nb. 7; (2007); p. 2115 - 2122, View in Reaxys products arising from cellulose, lignin and resins

formation in drink- organic matter ing water after containing in the ozonation drinking water taken from Mississippi River near Jefferson Parish, LA, USA particle-phase emission rate of 9.5 μg/L of gasoline-equivalent fuel burned

References

motor vehicle traf- Fraser, Matthew P.; Cass, Glen R.; Simoneit, Bernd R. T.; Environmental Science and fic; Van Nuys Tun- Technology; vol. 32; nb. 14; (1998); p. 2051 - 2060, View in Reaxys nel, Los Angeles, USA; 0600-1000 PDT, September 21, 1993; inside and outside tunnel; 7060 vehicles counted; average vehicle age: more than 7 years; catalyst and non-catalyst vehicles; average vehicle speed: ca. 64 km/ h

Concentration in the Environment (31) 1 of 31

Media (Concentration in the Environment)

industrial boiler emission, particle phase

Location

Guangzhou, Beijing, China

Contamination Concentration

7.4 ng/mg

Method, Remarks (Con- emissions of bituminite combustion from rubber, CPG plant collected with dilution samplers; centration in the Environ- ultrasonic extrac. with CH2Cl2:methanol (3:1, v/v); derivatized by BSTFA; GC/MS; emission ment) factor: mass ratio of particulate matter emitted and fuel consumption Zhang, Yuanxun; Schauer, James Jay; Zhang, Yuanhang; Zeng, Limin; Wei, Yongjie; Liu, Yuan; Shao, Min; Environmental Science and Technology; vol. 42; nb. 14; (2008); p. 5068 - 5073, View in Reaxys 2 of 31

Media (Concentration in the Environment)

residential stove emission, particle phase

Location

Gubeikou, Beijing, China

Contamination Concentration

70.2 ng/mg

Method, Remarks (Con- emissions of anthracite combustion collec. at chimney outlet downwind in plume; ultrasonic centration in the Environ- extrac. with dichlormethane:methanol (3:1, v/v); derivatized by BSTFA; GC/MS; emission ment) factor: mass ratio of particulate matter emitted and fuel consumption Zhang, Yuanxun; Schauer, James Jay; Zhang, Yuanhang; Zeng, Limin; Wei, Yongjie; Liu, Yuan; Shao, Min; Environmental Science and Technology; vol. 42; nb. 14; (2008); p. 5068 - 5073, View in Reaxys 3 of 31

Media (Concentration in the Environment)

residential stove emission, particle phase

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Location

Gubeikou, Beijing, China

Contamination Concentration

9.7 ng/mg

Method, Remarks (Con- emissions of sub-bituminite combustion collec. at chimney outlet downwind in plume; ultracentration in the Environ- sonic extrac. with dichlormethane:methanol (3:1, v/v); derivatized by BSTFA; GC/MS; emisment) sion factor: mass ratio of particulate matter emitted and fuel consumption Zhang, Yuanxun; Schauer, James Jay; Zhang, Yuanhang; Zeng, Limin; Wei, Yongjie; Liu, Yuan; Shao, Min; Environmental Science and Technology; vol. 42; nb. 14; (2008); p. 5068 - 5073, View in Reaxys 4 of 31

Media (Concentration in the Environment)

industrial boiler emission, particle phase

Location

Guangzhou, Beijing, China

Contamination Concentration

13.0 ng/mg

Method, Remarks (Con- emissions of mixed coal combustion from diff. combustion plants collec. with dilution samcentration in the Environ- plers; ultrasonic extrac. with CH2Cl2:CH3OH (3:1, v/v); derivatized by BSTFA; GC/MS; ment) emission factor: mass ratio of particulate matter emitted and fuel consumption Zhang, Yuanxun; Schauer, James Jay; Zhang, Yuanhang; Zeng, Limin; Wei, Yongjie; Liu, Yuan; Shao, Min; Environmental Science and Technology; vol. 42; nb. 14; (2008); p. 5068 - 5073, View in Reaxys 5 of 31

Media (Concentration in the Environment)

industrial boiler emission, particle phase

Location

Beijing, China

Contamination Concentration

4.3 ng/mg

Method, Remarks (Con- emissions of brown coal combustion from diff. combustion plants collec. with dilution samcentration in the Environ- plers; ultrasonic extrac. with CH2Cl2:CH3OH (3:1, v/v); derivatized by BSTFA; GC/MS; ment) emission factor: mass ratio of particulate matter emitted and fuel consumption Zhang, Yuanxun; Schauer, James Jay; Zhang, Yuanhang; Zeng, Limin; Wei, Yongjie; Liu, Yuan; Shao, Min; Environmental Science and Technology; vol. 42; nb. 14; (2008); p. 5068 - 5073, View in Reaxys 6 of 31

Media (Concentration in the Environment)

residential stove emission, particle phase

Location

Gubeikou, Beijing, China

Contamination Concentration

8.4 ng/mg

Method, Remarks (Con- emissions of bituminite combustion collected at chimney outlet downwind in plume; ultracentration in the Environ- sonic extrac. with dichlormethane:methanol (3:1, v/v); derivatized by BSTFA; GC/MS; emisment) sion factor: mass ratio of particulate matter emitted and fuel consumption Zhang, Yuanxun; Schauer, James Jay; Zhang, Yuanhang; Zeng, Limin; Wei, Yongjie; Liu, Yuan; Shao, Min; Environmental Science and Technology; vol. 42; nb. 14; (2008); p. 5068 - 5073, View in Reaxys 7 of 31

Media (Concentration in the Environment)

residential stove emission, particle phase

Location

Gubeikou, Beijing, China

Contamination Concentration

38.9 ng/mg

Method, Remarks (Con- emissions of coal brinquette combustion collec. at chimney outlet downwind in plume; ulcentration in the Environ- trasonic extrac. with dichlormethane:methanol (3:1, v/v); derivatized by BSTFA; GC/MS; ment) emission factor: mass ratio of particulate matter emitted and fuel consumption Zhang, Yuanxun; Schauer, James Jay; Zhang, Yuanhang; Zeng, Limin; Wei, Yongjie; Liu, Yuan; Shao, Min; Environmental Science and Technology; vol. 42; nb. 14; (2008); p. 5068 - 5073, View in Reaxys 8 of 31

Media (Concentration in the Environment)

residential stove emission, particle phase

Location

Beijing, China

Contamination Concentration

25.4 ng/mg

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Method, Remarks (Con- emissions of coal brinquette combustion collec. from steel stove with refractory line chamber; centration in the Environ- ultrasonic extrac. with CH2Cl2:CH3OH (3:1, v/v); derivatized by BSTFA; GC/MS; emission ment) factor: mass ratio of particulate matter emitted and fuel consumption Zhang, Yuanxun; Schauer, James Jay; Zhang, Yuanhang; Zeng, Limin; Wei, Yongjie; Liu, Yuan; Shao, Min; Environmental Science and Technology; vol. 42; nb. 14; (2008); p. 5068 - 5073, View in Reaxys 9 of 31

Media (Concentration in the Environment)

air

Location

Guangzhou city, China

Contamination Concentration

675 - 1890 ng/mg POM

Method, Remarks (Con- mean conc.; PM2.5 emissions from various Chinese restaurants with different cooking styles centration in the Environ- collected by quartz fiber filters deployed at exhaust vents during rush hours of lunch and ment) supper; particulate organic matter (POM) analyzed by GC-MS Zhao, Yunliang; Hu, Min; Slanina, Sjaak; Zhang, Yuanhang; Environmental Science and Technology; vol. 41; nb. 1; (2007); p. 99 - 105, View in Reaxys 10 of 31

Media (Concentration in the Environment)

ambient air

Location

St. Louis Midwest Supersite

Contamination Concentration

0.54 pg/l

Method, Remarks (Con- 2 year average particle-phase conc.; daily particulate matter (PM2.5) samples collec. using centration in the Environ- medium volume samplers every 6th d between May 13, 2001 through June 8, 2003; GC-MS ment) Jaeckels, Jeffrey M.; Bae, Min-Suk; Schauer, James J.; Environmental Science and Technology; vol. 41; nb. 16; (2007); p. 5763 - 5769, View in Reaxys 11 of 31

Media (Concentration in the Environment)

air

Location

Los Angeles, California, USA

Contamination Concentration

2.98 - 7.44 pg/l

Method, Remarks (Con- average conc. in ultrafine particles (<180 nm diameter); sampled from a typical urban site; centration in the Environ- collected on weekdays for two 3 h periods (morning and afternoon) between June 28-July ment) 27, 2006; GC/MS; higher title comp. conc. in the morning observed; fig. Ning, Zhi; Geller, Michael D.; Moore, Katharine F.; Sheesley, Rebecca; Schauer, James J.; Sioutas, Constantinos; Environmental Science and Technology; vol. 41; nb. 17; (2007); p. 6000 - 6006, View in Reaxys 12 of 31

Media (Concentration in the Environment)

air

Location

Shing Mun Tunnel, Hong Kong

Contamination Concentration

4.7 - 32.5 pg/l

Method, Remarks (Con- particulate (PM2.5) samples collected from inlet and outlet of tunnel on 13, 17, 25 August centration in the Environ- 2003 and 10, 11, 23, 25 February 2004 at different time periods; extracted with ultrapure ment) organic-free water under ultrasonication; GC-FID; GC-MS; table Wang, Haobo; Kawamura, Kimitaka; Ho; Lee; Environmental Science and Technology; vol. 40; nb. 20; (2006); p. 6255 - 6260, View in Reaxys 13 of 31

Media (Concentration in the Environment)

air

Location

Seney National Wildlife Refuge, Michigan, USA

Contamination Concentration

0 - 1.07 pg/l

Method, Remarks (Con- in fine particulate matter PM2.5; monthly average conc.; 2 samples collected in Michigan's centration in the Environ- Upper Peninsula every 3 days between November 2001 and December 2002; sampling ment) duration: 24 h; 1 composite sample analyzed for each month; GC-MS analysis

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Sheesley, Rebecca J.; Schauer, James J.; Bean, Erin; Kenski, Donna; Environmental Science and Technology; vol. 38; nb. 24; (2004); p. 6491 - 6500, View in Reaxys 14 of 31

Media (Concentration in the Environment)

air

Location

Seney National Wildlife Refuge, Michigan, USA

Contamination Concentration

0 - 2.888 pg/l

Method, Remarks (Con- in fine particulate matter PM2.5; samples collected ca. every third day from 8/06 to 13/09/2002 centration in the Environ- in Michigan's Upper Peninsula; high-volume sampler used; sampling duration: 24 h; 1 indiment) vidual sample and 7 composite samples analyzed; GC-MS Sheesley, Rebecca J.; Schauer, James J.; Bean, Erin; Kenski, Donna; Environmental Science and Technology; vol. 38; nb. 24; (2004); p. 6491 - 6500, View in Reaxys 15 of 31

Media (Concentration in the Environment)

air

Location

San Nicolas Island, USA

Contamination Concentration

0.41 pg/l

Method, Remarks (Con- average conc.; 4 h integrated samples collected with 6 h intervals over a 2-day photochemcentration in the Environ- ical smog episode on 8-9 Sept, 1993; GC-MS analyses (as methyl ester) ment) Fraser; Cass; Simoneit; Environmental Science and Technology; vol. 37; nb. 3; (2003); p. 446 - 453, View in Reaxys 16 of 31

Media (Concentration in the Environment)

air

Location

Southern California, USA

Contamination Concentration

2.9 pg/l

Method, Remarks (Con- average conc. in fine particulate phase; 4 sampling sites: Long Beach, central Los Angeles, centration in the Environ- Azusa and Claremont; 4 h integrated samples collect. with 6 h intervals over 2-day photoment) chemical smog episode on 8-9 Sept, 1993; GC-MS analyses (as methyl ester) Fraser; Cass; Simoneit; Environmental Science and Technology; vol. 37; nb. 3; (2003); p. 446 - 453, View in Reaxys 17 of 31

Media (Concentration in the Environment)

organic film

Location

Toronto, Canada

Contamination Concentration

Ca. 120 - 7269 ng/m2

Method, Remarks (Con- paired indoor and outdoor samples (organic matter 12.6-28.4 percent) collected from untincentration in the Environ- ted windows at urban-lab site located in downtown Toronto from July 2000; GC/MS(EI-SIM) ment) analyzed Liu, Qin-Tao; Chen, Rachel; McCarry, Brian E.; Diamond, Miriam L.; Bahavar, Bagher; Environmental Science and Technology; vol. 37; nb. 11; (2003); p. 2340 - 2349, View in Reaxys 18 of 31

Media (Concentration in the Environment)

organic film

Location

Toronto, Canada

Contamination Concentration

Ca. 1100 - 3410 ng/m2

Method, Remarks (Con- paired indoor and outdoor samples (organic matter 8.33 percent) collected from untinted centration in the Environ- windows at urban-restaurant site located on an arterial road in downtown Toronto from July ment) 2000; GC/MS(EI-SIM) analyzed Liu, Qin-Tao; Chen, Rachel; McCarry, Brian E.; Diamond, Miriam L.; Bahavar, Bagher; Environmental Science and Technology; vol. 37; nb. 11; (2003); p. 2340 - 2349, View in Reaxys

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19 of 31

Media (Concentration in the Environment)

organic film

Location

Toronto, Canada

Contamination Concentration

Ca. 1880 - 2622 ng/m2

Method, Remarks (Con- paired indoor and outdoor samples (organic matter 14.9-16.2 percent) collected from untincentration in the Environ- ted windows at urban-homes site located in downtown Toronto from July 2000; GC/MS(EIment) SIM) analyzed Liu, Qin-Tao; Chen, Rachel; McCarry, Brian E.; Diamond, Miriam L.; Bahavar, Bagher; Environmental Science and Technology; vol. 37; nb. 11; (2003); p. 2340 - 2349, View in Reaxys 20 of 31

Media (Concentration in the Environment)

organic film

Location

Toronto, Canada

Contamination Concentration

Ca. 40 - 800 ng/m2

Method, Remarks (Con- paired indoor and outdoor samples (organic matter 9.2 percent) collected from untinted wincentration in the Environ- dows at suburban site (office building close to an arterial road, 10 km from downtown Torment) onto) from July 2000; GC/MS(EI-SIM) analyzed Liu, Qin-Tao; Chen, Rachel; McCarry, Brian E.; Diamond, Miriam L.; Bahavar, Bagher; Environmental Science and Technology; vol. 37; nb. 11; (2003); p. 2340 - 2349, View in Reaxys 21 of 31

Media (Concentration in the Environment)

organic film

Location

Toronto, Canada

Contamination Concentration

Ca. 40 - 1560 ng/m2

Method, Remarks (Con- paired indoor and outdoor samples (organic matter 10.0-25 percent) collected from untinted centration in the Environ- windows at rural site (an office/laboratory building located in Egbert) from July 2000; GC/ ment) MS(EI-SIM) analyzed Liu, Qin-Tao; Chen, Rachel; McCarry, Brian E.; Diamond, Miriam L.; Bahavar, Bagher; Environmental Science and Technology; vol. 37; nb. 11; (2003); p. 2340 - 2349, View in Reaxys 22 of 31

Media (Concentration in the Environment)

air

Location

forest of Pertouli, Agrafa Mountains, Greece

Contamination Concentration

0.16 pg/l

Method, Remarks (Con- mean particulate-phase conc.; samples collected in afternoon (from 12 noon to 6 p.m.) during centration in the Environ- four 48-h sampling periods from July 27 to August 8, 1998; GC-MS analysis ment) Kavouras, Ilias G.; Stephanou, Euripides G.; Environmental Science and Technology; vol. 36; nb. 23; (2002); p. 5083 - 5091, View in Reaxys 23 of 31

Media (Concentration in the Environment)

air

Location

forest of Pertouli, Agrafa Mountains, Greece

Contamination Concentration

0.47 pg/l

Method, Remarks (Con- mean particulate-phase conc.; samples collected in morning (from 6 a.m. to 12 noon) during centration in the Environ- four 48-h sampling periods from July 27 to August 8, 1998; GC-MS analysis ment) Kavouras, Ilias G.; Stephanou, Euripides G.; Environmental Science and Technology; vol. 36; nb. 23; (2002); p. 5083 - 5091, View in Reaxys 24 of 31

Media (Concentration in the Environment)

air

Location

forest of Pertouli, Agrafa Mountains, Greece

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Contamination Concentration

0.31 pg/l

Method, Remarks (Con- mean particulate-phase conc.; samples collected in night (from 6 p.m. to 6 a.m.) during four centration in the Environ- 48-h sampling periods from July 27 to August 8, 1998; GC-MS analysis ment) Kavouras, Ilias G.; Stephanou, Euripides G.; Environmental Science and Technology; vol. 36; nb. 23; (2002); p. 5083 - 5091, View in Reaxys 25 of 31

Media (Concentration in the Environment)

air

Location

forest of Pertouli, Agrafa Mountains, Greece

Contamination Concentration

0.22 pg/l

Method, Remarks (Con- mean gas-phase conc.; samples collected in night (from 6 p.m. to 6 a.m.) during four 48-h centration in the Environ- sampling periods from July 27 to August 8, 1998; GC-MS analysis ment) Kavouras, Ilias G.; Stephanou, Euripides G.; Environmental Science and Technology; vol. 36; nb. 23; (2002); p. 5083 - 5091, View in Reaxys 26 of 31

Media (Concentration in the Environment)

air

Location

forest of Pertouli, Agrafa Mountains, Greece

Contamination Concentration

0.69 pg/l

Method, Remarks (Con- mean gas-phase conc.; samples collected in afternoon (from 12 noon to 6 p.m.) during four centration in the Environ- 48-h sampling periods from July 27 to August 8, 1998; GC-MS analysis ment) Kavouras, Ilias G.; Stephanou, Euripides G.; Environmental Science and Technology; vol. 36; nb. 23; (2002); p. 5083 - 5091, View in Reaxys 27 of 31

Media (Concentration in the Environment)

air

Location

forest of Pertouli, Agrafa Mountains, Greece

Contamination Concentration

2.59 pg/l

Method, Remarks (Con- mean gas-phase conc.; samples collected in morning (from 6 a.m. to 12 noon) during four centration in the Environ- 48-h sampling periods from July 27 to August 8, 1998; GC-MS analysis ment) Kavouras, Ilias G.; Stephanou, Euripides G.; Environmental Science and Technology; vol. 36; nb. 23; (2002); p. 5083 - 5091, View in Reaxys 28 of 31

Media (Concentration in the Environment)

ambient air

Location

San Joaquin Valley, California, USA

Contamination Concentration

8.22 - 19.9 pg/l

Background Concentration

1.52 - 1.83 pg/l

Method, Remarks (Con- in fine particle phase; 24-h samples collected on 26-28 December 1995 and 4-6 January centration in the Environ- 1996 by high-volume dichotomous virtual impactors at two urban sites (Fresno and Bakersment) field); background site: Kern Wildlife Refuge; extract.; derivat.; GC-MS anal. Schauer, James J.; Cass, Glen R.; Environmental Science and Technology; vol. 34; nb. 9; (2000); p. 1821 - 1832, View in Reaxys 29 of 31

Media (Concentration in the Environment)

riverine water

Location

Ebro river, Spain

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Contamination Concentration

0.4 ppm

Method, Remarks (Con- conc. of title comp. in the natural water; US EPA method 625; liquid-liquid extraction; GC/ centration in the Environ- MS analysis ment) Gracia; Cortes; Sarasa; Ormad; Ovelleiro; Water Research; vol. 34; nb. 5; (2000); p. 1525 - 1532, View in Reaxys 30 of 31

Media (Concentration in the Environment)

presipitation samples

Location

Tokyo

Contamination Concentration

0.36 - 11.5 μg/l

Method, Remarks (Con- precipitation samples from Tokyo; one snow and two rain events; winter and summer 1992; centration in the Environ- nine precipitation samples; stainless steel rain collector; extracted; concentrated; derivatment) ized; GC analysis Sempere; Kawamura; Atmospheric Environment; vol. 28; nb. 3; (1994); p. 449 - 459, View in Reaxys 31 of 31

Media (Concentration in the Environment)

aerosol samples

Location

Tokyo

Contamination Concentration

41 - 48 ng/m3

Method, Remarks (Con- aerosol samples from Tokyo; winter and summer 1992; four aerosol samples; high-volume centration in the Environ- air sampler; extracted; concentrated; derivatized; GC analysis ment) Sempere; Kawamura; Atmospheric Environment; vol. 28; nb. 3; (1994); p. 449 - 459, View in Reaxys Transport and Distribution (1) 1 of 1

Type (Transport and Dis- partition tribution) Media (Transport and Distribution)

gas phase - particulate phase

Results

mean gas/particle partitioning coefficient, Kom: 0.125; gas- and particulate-phase conc. of title comp. presented; table

Method, Remarks (Transport and Distribution)

field study; air samples collected during four 48-h sampling periods from July 27 to August 8, 1998; sampling site: forest of Pertouli (Agrafa Mountains, Greece); gas- and particulatephase conc. of title comp. determined; GC-MS analysis

Kavouras, Ilias G.; Stephanou, Euripides G.; Environmental Science and Technology; vol. 36; nb. 23; (2002); p. 5083 - 5091, View in Reaxys Abiotic Degradation, Hydrolysis (6) 1 of 6

Type (Abiotic Degradation, Hydrolysis)

oxidation

Concentration (Abiotic 0.4 ppm Degradation, Hydrolysis) Degradation Rate (Abio- 93 percent tic Degradation, Hydrolysis) [%] Exposure Period (Abiotic 4 min Degradation, Hydrolysis) Method, Remarks (Abio- water collected from the Ebro river, Spain; 2 l water, ozonation without catalyst in a glass tic Degradation, Hydroly- closed reactor, 3 g O3/g TOC; characterization according to US EPA method 625; extraction; sis) GC/MS anal. Gracia; Cortes; Sarasa; Ormad; Ovelleiro; Water Research; vol. 34; nb. 5; (2000); p. 1525 - 1532, View in Reaxys 2 of 6

Type (Abiotic Degradation, Hydrolysis)

oxidation

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Concentration (Abiotic 0.4 ppm Degradation, Hydrolysis) Degradation Rate (Abio- 80 percent tic Degradation, Hydrolysis) [%] Exposure Period (Abiotic 4 min Degradation, Hydrolysis) Method, Remarks (Abio- water collected from the Ebro river, Spain; 2 l water, ozonation with TiO2 catalyst in a glass tic Degradation, Hydroly- closed reactor, 3 g O3/g TOC; characterization according to US EPA method 625; extraction; sis) GC/MS anal. Gracia; Cortes; Sarasa; Ormad; Ovelleiro; Water Research; vol. 34; nb. 5; (2000); p. 1525 - 1532, View in Reaxys 3 of 6

Type (Abiotic Degradation, Hydrolysis)

oxidation

Concentration (Abiotic 0.4 ppm Degradation, Hydrolysis) Degradation Rate (Abio- 100 percent tic Degradation, Hydrolysis) [%] Exposure Period (Abiotic 24 h Degradation, Hydrolysis) Method, Remarks (Abio- water from the Ebro river, Spain; 2 l water; ozonation without catalyst in a glass closed tic Degradation, Hydroly- reactor, 3 g O3/g TOC, 4 min; subsequent chlorination with NaClO, 2.5 mg Cl2/l, 20 deg C, sis) 24 h; characterization by US EPA method 625; extraction; GC/MS anal. Gracia; Cortes; Sarasa; Ormad; Ovelleiro; Water Research; vol. 34; nb. 5; (2000); p. 1525 - 1532, View in Reaxys 4 of 6

Type (Abiotic Degradation, Hydrolysis)

oxidation

Concentration (Abiotic 0.4 ppm Degradation, Hydrolysis) Degradation Rate (Abio- 100 percent tic Degradation, Hydrolysis) [%] Exposure Period (Abiotic 24 h Degradation, Hydrolysis) Method, Remarks (Abio- water from the Ebro river, Spain; 2 l water; ozonation with TiO2 catalyst in a glass closed tic Degradation, Hydroly- reactor, 3 g O3/g TOC, 4 min; subsequent chlorination with NaClO, 2.5 mg Cl2/l, 20 deg C, sis) 24 h; characterization by US EPA method 625; extraction; GC/MS anal. Gracia; Cortes; Sarasa; Ormad; Ovelleiro; Water Research; vol. 34; nb. 5; (2000); p. 1525 - 1532, View in Reaxys 5 of 6

Type (Abiotic Degradation, Hydrolysis)

oxidation

Concentration (Abiotic 0.4 ppm Degradation, Hydrolysis) Degradation Rate (Abio- 22.5 percent tic Degradation, Hydrolysis) [%] Exposure Period (Abiotic 24 h Degradation, Hydrolysis) Temperature (Abiotic 20 Degradation, Hydrolysis) [°C] pH-Value (Abiotic Degradation, Hydrolysis)

Method, Remarks (Abio- water from the Ebro river, Spain; 2 l water; chlorination with NaClO, 2.5 mg Cl2/l; identificatic Degradation, Hydroly- tion by US EPA method 625; extraction; GC/MS anal.; decrease in title comp. conc. was sis) observed

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Gracia; Cortes; Sarasa; Ormad; Ovelleiro; Water Research; vol. 34; nb. 5; (2000); p. 1525 - 1532, View in Reaxys 6 of 6

Type (Abiotic Degradation, Hydrolysis)

oxidation

Concentration (Abiotic 0.1 mg/g Degradation, Hydrolysis) Degradation Rate (Abio- <= 34.4 - 45.3 tic Degradation, Hydrolysis) [%] Exposure Period (Abiotic 33 - 50 s Degradation, Hydrolysis) pH-Value (Abiotic Degradation, Hydrolysis)

7.8

Method, Remarks (Abio- raw Erbo River water (Bocal, Spain); TOC=2.95 ppm; ozonation: 1.27-2.8 g-O3/g-TOC; with tic Degradation, Hydroly- and without MnSO4*H2O as catalyst; organic compound analysis according to US EPA sis) method 625 Gracia; Araguees; Ovelleiro; Water Research; vol. 32; nb. 1; (1998); p. 57 - 62, View in Reaxys Use (441) Use Pattern

Location

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Pharmaceuticals

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inflammatory lesions

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probucol and/or derivatives of probucol containing composition for preventing and/or reducing skin changes

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Anti-acne agent

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Anti-acne agent in composition with extract of Primula denticulata

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in combination with α2-adrenoceptor agonists and anti-muscarinic agent for treatment of condition associated with excess sebum production or excretion

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disorders of the skin

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anti-infectious agents

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wound recovery agent of a composition comprising colloidal metals suitable for the treatment and prevention of skin diseases

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skin-whitening agent

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Alopecia

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Scalp medication

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Maintain hair growth

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stimulate hair growth

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acid in pharmaceutical composition comprising alginate suitable for reducing, ameliorating, treating, or preventing a condition of dry eye

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composition for treating rosacea containing a combination of oxy group-bearing aromatic aldehydes and rosacea-effective agent

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dermatological compositions

Patent; L'Oreal S.A.; US7192454; (2007); (B2) English, View in Reaxys

Therapeutic agent for an orally-dissolvable, edible film

Patent; Maibach, Todd; US2007/59346; (2007); (A1) English, View in Reaxys

Dermatological agent

Patent; Maibach, Todd; US2007/59346; (2007); (A1) English, View in Reaxys

skin care agent

Patent; ENGINEERED RELEASE SYSTEMS, INC.; WO2007/9023; (2007); (A2) English, View in Reaxys

Acne vulgaris

Patent; ASPEN BENEFITS GROUP, LLC; WO2007/53422; (2007); (A1) English, View in Reaxys

Reduces side effects associated with the ingredients used

Patent; ASPEN BENEFITS GROUP, LLC; WO2007/53422; (2007); (A1) English, View in Reaxys

Acne

Patent; ASPEN BENEFITS GROUP, LLC; WO2007/53422; (2007); (A1) English, View in Reaxys

Symptoms associated with acne

Patent; ASPEN BENEFITS GROUP, LLC; WO2007/53422; (2007); (A1) English, View in Reaxys

Propionibacterium acnes

Patent; ASPEN BENEFITS GROUP, LLC; WO2007/53422; (2007); (A1) English, View in Reaxys

Acne causation factors due to oxidative effect

Patent; ASPEN BENEFITS GROUP, LLC; WO2007/53422; (2007); (A1) English, View in Reaxys

cosmetic composition for improving the appearance of the skin

Patent; PARTNERSHIP and CORP. TECHNOLOGY TRANSFER; WO2007/71448; (2007); (A2) English, View in Reaxys

composition comprising niacinamide and one or more tyrosine-arginine dipeptide compounds for the treatment of one or more skin, scalp or mucous membrane disorders

Patent; L'OREAL; US2007/154425; (2007); (A1) English, View in Reaxys

antimicrobial agent

Patent; L'OREAL; US2007/154425; (2007); (A1) English, View in Reaxys

113/239

2016-03-15 06:25:01

in combination with laser treatment for enhancing and promoting hair growth

Patent; Gaunitz, William F.; US2007/184003; (2007); (A1) English, View in Reaxys

component of a topical formulation

Patent; Gaunitz, William F.; US2007/184003; (2007); (A1) English, View in Reaxys

Revitalizing hair growth

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Rebuilding the natural integrity of the hair follicles

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Restoring the natural integrity of the hair follicles

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Baldness

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Androgenetic alopecia

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Stimulation of hair growth

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Hypoxia

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Inflammatory disorders

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Septic disorder

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Malignant disorders

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Anorexia

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

vomiting

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

gastrointestinal disorder

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Chronic inflammatory bowel disease

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Regional enteritis

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

ulcerative colitis

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Extensive body burns

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Extensive traumatic injuries in which caloric requirements are increased

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Complicated by fistula formations

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

Short bowel syndrome after extensive intestinal tract amenable to surgical repair

Patent; Cerullo, John; Louey, Willard; US2007/81967; (2007); (A1) English, View in Reaxys

114/239

2016-03-15 06:25:01

mitochondrial oxydoreductase inhibitor; 5-alphareductase inhibitor

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

Rosacea

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

Inflammatory component of rosacea

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

Skin inflammation

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

Skin conditions

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

Decreasing irritation side effects of azelaic acid on skin

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

Decreasing irritation side effects of azelaic acid on skin affected with psoriasis

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

Increasing tolerance of metronidazole treatment

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

First stage of rosacea

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

Second stage of rosacea

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

Third stage of rosacea

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

Fourth stage of rosacea

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

Bacteriolytic

Patent; GALDERMA RESEARCH and DEVELOPMENT; US2007/219263; (2007); (A1) English, View in Reaxys

component of active ingredient in pharmaceutical composition for topical application to skin

Patent; NUVIANCE, INC.; WO2007/103555; (2007); (A2) English, View in Reaxys

skin lightener

Patent; NUVIANCE, INC.; WO2007/103555; (2007); (A2) English, View in Reaxys

active ingredient in pharmaceutical composition for treating hyperpigmentation of skin

Patent; NUVIANCE, INC.; WO2007/103555; (2007); (A2) English, View in Reaxys

premix component of hydrogel composition useful for sealing biological tissue of living mammal

Patent; Chen, Weiliam; Abrahams, John M.; US2007/243130; (2007); (A1) English, View in Reaxys

inhibitor of a glutamate synthesizing enzyme

Patent; YEDA RESEARCH AND DEVELOPMENT CO. LTD.; MOR RESEARCH APPLICATIONS LTD.; WO2007/105203; (2007); (A2) English, View in Reaxys

115/239

2016-03-15 06:25:01

5α-reductase inhibitor

Patent; L'OREAL; US2007/265307; (2007); (A1) English, View in Reaxys

Organic acid of a composition for treating respiratory tract virus infection

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for imparting a persistent antiviral activity

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for inhibiting transmission of a virus to the nasal mucosa

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for protecting against self-infection

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for imparting a rapid antiviral activity against viralmediated disease

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for imparting a persistent antiviral activity against viralmediated disease

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for inhibiting transmission of a virus to the respiratory tract

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for preventing virusmediated diseases

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for treating conditions caused by rhinoviruses

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for treating conditions caused by picornaviruses

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for treating conditions caused by adenoviruses

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for treating conditions

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

116/239

2016-03-15 06:25:01

caused by herpes viruses Organic acid of a composition for treating conditions caused by respiratory syncytial viruses (RSV)

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for treating conditions caused by coronaviruses

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for treating conditions caused by enteroviruses

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for treating conditions caused by other non-enveloped viruses

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for treating common cold

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for bacterial control

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

Organic acid of a composition for viral control

Patent; THE DIAL CORPORATION; US2007/274926; (2007); (A1) English, View in Reaxys

water-soluble compound of a body care composition

Patent; Wella Aktiengesellschaft; EP1867318; (2007); (A1) English, View in Reaxys

water-soluble compound of a cosmetic cleaning material

Patent; Wella Aktiengesellschaft; EP1867318; (2007); (A1) English, View in Reaxys

water-soluble compound of a peeling-shampoo

Patent; Wella Aktiengesellschaft; EP1867318; (2007); (A1) English, View in Reaxys

water-soluble compound of a peling-showerbath

Patent; Wella Aktiengesellschaft; EP1867318; (2007); (A1) English, View in Reaxys

acne vulgaris and Page/Page colinflammatory con- umn 7-8; 50-51 ditions thereof

Patent; RANBAXY LABORATORIES LIMITED; WO2007/60618; (2007); (A2) English, View in Reaxys

Anti-microbial Page/Page colagent for cosmetic umn 9; 12 compositions

Patent; General Electric Company; US2007/134283; (2007); (A1) English, View in Reaxys

anti-acne agent

Patent; Estanislao, Roderico B.; Lambino, Danilo L.; Lim, Connie; Sugimoto, Maki; US2005/74484; (2005); (A1) English, View in Reaxys; Patent; Wu, Jeffrey M.; Liu, JueChen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys; Patent; Spengler, Eric; Petraia, Teresa; US2006/204469; (2006); (A1) English, View in Reaxys

117/239

2016-03-15 06:25:01

Initial ligand screening for MOR203-1

Patent; Duke University; US2006/57640; (2006); (A1) English, View in Reaxys

Initial ligand screening for olfr62

Patent; Duke University; US2006/57640; (2006); (A1) English, View in Reaxys

5-alpha reductase

Patent; ACRUX DDS PTY LTD; WO2006/84312; (2006); (A1) English, View in Reaxys

A component of composition for promoting hair growth

Patent; ACRUX DDS PTY LTD; WO2006/84312; (2006); (A1) English, View in Reaxys

anti-acne drug

Patent; ZYMES, LLC; WO2006/107825; (2006); (A2) English, View in Reaxys

Component of skin-health-improving formulations

Patent; ZYMES, LLC; WO2006/107825; (2006); (A2) English, View in Reaxys

Anti-acne

Patent; KILDA BIOLINK AS; COCKBAIN, Julian; WO2006/123173; (2006); (A1) English, View in Reaxys

preparation of anti-Candida albicans oligosaccharide based conjugates

Patent; GOVERNORS OF THE UNIVERSITY OF ALBERTA; WO2006/96970; (2006); (A1) English, View in Reaxys

linking agent

Patent; GOVERNORS OF THE UNIVERSITY OF ALBERTA; WO2006/96970; (2006); (A1) English, View in Reaxys

component of sanitizing and microbicidal wipe for cleaning and disinfecting surface

Patent; Lopes, John Alex; US2006/62832; (2006); (A1) English, View in Reaxys

follicular diseases

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys

seborrhea

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys

follicular rash

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys

follicular infections

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys

psudofolliculitis barbe

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys

follicular ketarosis

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys

phrynoderma

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys

ichthyosis follicularis

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys

follicular dysplasia

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys

antimicrobial agent of cleansing composition

Patent; L'OREAL; US2006/18865; (2006); (A1) English, View in Reaxys

hypertrichosis

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys; Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

118/239

2016-03-15 06:25:01

hirsutism

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys; Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

acne

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys; Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

folliculitis

keratosis pilaris

alopecia

Patent; Wu, Jeffrey M.; Liu, Jue-Chen; Chantalat, Jeannette; Sun, Ying; US2006/9499; (2006); (A1) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

Depigmenting agent

Patent; GALDERMA RESEARCH and DEVELOPMENT, S.N.C.; US2006/14803; (2006); (A1) English, View in Reaxys

depigmenting agent

Page/Page column 16

Patent; GALDERMA RESEARCH and DEVELOPMENT, S.N.C.; WO2006/18325; (2006); (A1) English, View in Reaxys

depigmenting agent

Page/Page column 15

Patent; GALDERMA RESEARCH and DEVELOPMENT, S.N.C.; WO2006/18326; (2006); (A1) English, View in Reaxys

Component of compositions for treating acne

Patent; Allergan, Inc.; US2005/19422; (2005); (A1) English, View in Reaxys

Component of a cosmetic composition for treating human keratin fibers

Patent; L'Oreal S.A.; US2005/2887; (2005); (A1) English, View in Reaxys

Drug delivery system

Patent; Edgren, David Emil; Skluzacek, Robert R.; Li, Shu; Wong, Patrick S.L.; Magruder, Paul R.; US2005/48120; (2005); (A1) English, View in Reaxys

Self-destructive membrane

Patent; Edgren, David Emil; Skluzacek, Robert R.; Li, Shu; Wong, Patrick S.L.; Magruder, Paul R.; US2005/48120; (2005); (A1) English, View in Reaxys

Plasticizer

Patent; Edgren, David Emil; Skluzacek, Robert R.; Li, Shu; Wong, Patrick S.L.; Magruder, Paul R.; US2005/48120; (2005); (A1) English, View in Reaxys

acid component of synergistic skin lightening composition

Patent; Unilever Home and Personal Care USA, Division of Conopco, Inc.; US2005/100517; (2005); (A1) English, View in Reaxys

wash/detergent composition

Patent; UNILEVER PLC; UNILEVER NV; HINDUSTAN LEVER LIMITED; WO2005/51343; (2005); (A1) English, View in Reaxys

Part of dermatological complex

Patent; Stockel, Richard F.; US2005/136024; (2005); (A1) English, View in Reaxys

depigmenting agent for medicinal compositions

Patent; GALDERMA RESEARCH and DEVELOPMENT, S.N.C.; WO2005/58312; (2005); (A1) English, View in Reaxys

component of a topical solution for for stimulating the growth of hair in humans and lower animals

Patent; REGROWTH, LLC; WO2005/67873; (2005); (A1) English, View in Reaxys

prevent hair loss

Patent; REGROWTH, LLC; WO2005/67873; (2005); (A1) English, View in Reaxys

119/239

2016-03-15 06:25:01

Pharmaceutical composition

Patent; Lee, Richard; Garzouzi, Victoria L.; US2005/163811; (2005); (A1) English, View in Reaxys

co-active ingredient

Patent; Lee, Richard; Garzouzi, Victoria L.; US2005/163811; (2005); (A1) English, View in Reaxys

stimulating hair growrh

Patent; Lee, Richard; Garzouzi, Victoria L.; US2005/163811; (2005); (A1) English, View in Reaxys

therapy

Patent; Lee, Richard; Garzouzi, Victoria L.; US2005/163811; (2005); (A1) English, View in Reaxys

prophylaxis

Patent; Lee, Richard; Garzouzi, Victoria L.; US2005/163811; (2005); (A1) English, View in Reaxys

Depigmenting substance for the topical preparation

Patent; PCR Technology Holdings, LC; US2005/175559; (2005); (A1) English, View in Reaxys

Part of the conventional composition for depigmentation

Patent; CLR CHEMISCHES LABORATORIUM DR. KURT RICHTER GMBH; WO2005/63191; (2005); (A1) English, View in Reaxys

active ingredient in the cosmetic composition

Patent; EASTMAN KODAK COMPANY; WO2005/70377; (2005); (A2) English, View in Reaxys

Component of wax phase of product for cleansing face or body for baby or adult

Patent; JOHNSON and JOHNSON GmbH; WO2005/74864; (2005); (A1) English, View in Reaxys

solid water-in-oil emulsified makeup composition

Patent; Taniguchi, Toshiya; US2005/191329; (2005); (A1) English, View in Reaxys

Component for pharmaceutical composition for the treatment of acne vulgaris

Patent; Bernstein, Joel E.; US2005/169948; (2005); (A1) English, View in Reaxys

Component for pharmaceutical composition for the treatment of acne rosacea

Patent; Bernstein, Joel E.; US2005/169948; (2005); (A1) English, View in Reaxys

components that reinforce whitening effect

Patent; DAIICHI PHARMACEUTICAL CO., LTD.; EP1586315; (2005); (A1) English, View in Reaxys

whitening agent

Patent; DAIICHI PHARMACEUTICAL CO., LTD.; EP1586315; (2005); (A1) English, View in Reaxys

pharmaceutical composition

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

aging of the skin

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

Alzheimer's disease

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

cartilage destruction

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

HIV

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

AIDS

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

anxiety

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

120/239

2016-03-15 06:25:01

obsessive compulsive disorder

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

attention deficit disorder

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

ADHD

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

sleep regulation

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

transplant industry

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

dyslipidemias

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

sebum production

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

migraines

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

bile dysfunction

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

cancer

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

depression

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

acute liver disease

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

chronic liver disease

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

cirrhosis of the liver

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

ischemic reperfusion injury of stroke

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

organ ischemic reperfusion in transplant technology

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

Parkinson's disease

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

memory disturbances

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

intrahepatic cholestasis

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

inflammation

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

diabetes

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

pain

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

osteoarthritis

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys

component of composition having improved solubility of a hydrophobic drug for treating schizophrenia

Patent; Barbera, Gary; Doshi, Chetan Chhabildas; Patel, Mahendra R.; Davila, Pablo; Patel, Satishkumar Ambalal; US2005/249814; (2005); (A1) English, View in Reaxys

sebo-regulating cosmetic composition for the care of oily skin

Patent; L'OREAL; US2005/244360; (2005); (A1) English, View in Reaxys

hyperseborrhea

Patent; L'OREAL; US2005/244360; (2005); (A1) English, View in Reaxys

bacteriostat

Patent; VAMA FARMACOSMETICA S.r.l.; US2005/182124; (2005); (A1) English, View in Reaxys; Patent; VAMA FARMCOSMETICA S.R.L.; WO2005/79852; (2005); (A2) English, View in Reaxys

121/239

2016-03-15 06:25:01

dermopharmaceutical preparation

Patent; VAMA FARMACOSMETICA S.r.l.; US2005/182124; (2005); (A1) English, View in Reaxys; Patent; VAMA FARMCOSMETICA S.R.L.; WO2005/79852; (2005); (A2) English, View in Reaxys

cosmetic preparation

Patent; VAMA FARMACOSMETICA S.r.l.; US2005/182124; (2005); (A1) English, View in Reaxys

anti-acne active agent

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

dermatological or mucosal disorder

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

disorder of the skin, mucosal membrane, vagina and rectum

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

Pain

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

seborrheic dermatitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

nummular dermatitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

chronic dermatitis of the hands and feet

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

generalized exfoliative dermatitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

stasis dermatitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

lichen simplex chronicus

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

diaper rash

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

bacterial infections

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

staphylococcal scalded skin syndrome

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

fungal infections

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

dermatophyte infections

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

yeast infections

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

parasitic infections

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

viral infections

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

disorders of hair follicles and sebaceous glands

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

peroral dermatitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

male pattern baldness

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

alopecia areata

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

alopecia universalis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

alopecia totalis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

pseudofolliculitis barbae

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

keratinous cyst

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

122/239

2016-03-15 06:25:01

scaling papular diseases

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

benign tumors

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

dysplastic nevi

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

skin tags

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

lipomas

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

angiomas

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

pyogenic granuloma

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

seborrheic keratoses

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

dermatofibroma

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

keratoacanthoma

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

keloid

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

malignant tumors

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

Paget's disease of the nipples

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

reactions to sunlight

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

bullous diseases

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

linear immunoglobulin A disease

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

vitiligo

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

albinism

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

postinflammatory hypopigmentation

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

hyperpigmentation

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

melasma

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

chloasma

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

drug-induced hyperpigmentation

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

postinflammatory hyperpigmentation

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

calluses

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

actinic keratosis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

pressure sores

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

disorders of sweating

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

granuloma annulare

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

non-dermatological disorders, which respond to topical/ transdermal delivery of an active agent

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

localized pain

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

joint pain

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

123/239

2016-03-15 06:25:01

muscle pain

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

back pain

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

rheumatic pain

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

arthritis

Patent; Hebert, Rolland F.; US2005/272687; (2005); (A1) English, View in Reaxys; Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

ostheoarthritis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

acute soft tissue injuries and sports injuries

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

conditions, which respond to hormone therapy

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

hormone replacement therapy

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

transdermal nicotine administration

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

pelvic pain

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

premenstrual syndrome (PMS)

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

mittelschmerz

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

dysmenorrhea

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

endometriosis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

ectopic pregnancy

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

ovarian cysts and masses

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

acute pelvic inflammatory disease

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

pelvic congestion syndrome

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

vulvodynia

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

vulvovaginal infections

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

bacterial vaginosis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

candidal vaginitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

trichomonas vaginalis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

herpes simplex

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

genital ulcers and warts

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

pelvic inflammatory disease (PID)

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

cervicitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

acute and chronic salpingitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

gynecological neoplasms

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

endometrial cancer

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

124/239

2016-03-15 06:25:01

ovarian cancer

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

cervical cancer

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

vulvar cancer

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

vaginal cancer

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

fallopian tube cancer

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

gestational trophoblastic disease

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

sexually transmitted diseases

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

sexual dysfunction disorders that respond to pharmacological therapy

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

sexual arousal disorder

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

female orgasmic disorder

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

dyspareunia

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

vaginismus

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

anal abscess/fistula

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

anal cancer

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

anal warts

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

Crohn's disease

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

haemorrhoids

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

perianal thrush

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

anal fissures

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

fecal incontinence

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

constipation

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

polyps of the colon and rectum

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

sexually-transmitted disease

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

non-sexuallytransmitted vaginal and genital infectious disease

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

wounds

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

burns

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

cuts

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

ulcers

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys

dermatological disorders and dermatological disorder-related complications

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

comedones

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

125/239

2016-03-15 06:25:01

papules, pustules

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

inflamed nodules

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

superficial pus-filled cysts

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

skin lesions and dermal inflammation

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

dermal scarring

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

disfigurement, cellulitis

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

dermal abscesses

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

secondary bacterial infection (impetigo)

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

herpes simplex or zoster

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

dermatological pain

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

dermatological inflammation

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

dermatitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

bacterial skin infections

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

fungal skin infections

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

skin neoplasia

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

viral skin infections

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

parasitic skin infections

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

skin neoplasms

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

pruritis

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

cellulitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

acute lymphangitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

lymphadenitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

erysipelas

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

cutaneous abscesses

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

necrotizing subcutaneous infections

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

scalded skin syndrome

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

furuncles

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

hidradenitis suppurativa

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

126/239

2016-03-15 06:25:01

carbuncles

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

paronychial infections

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

rashes

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

erythrasma

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

ecthyma

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

yeast skin infections

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

warts

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

molluscum contagiosum

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

trauma or injury to the skin

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

post-operative or post-surgical skin conditions

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

scabies

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

pediculosis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

creeping eruption

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

eczemas

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

psoriasis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

pityriasis rosea

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

lichen planus

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

pityriasis rubra pilaris

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

edematous

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

erythema multiforme

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

erythema nodosum

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

grannuloma annulare

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

epidermal necrolysis

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

sunburn

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

photosensitivity

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

pemphigus

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

bullous pemphigoid

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

dermatitis herpetiformis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

127/239

2016-03-15 06:25:01

callouses

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

corns

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

ichthyosis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

skin ulcers

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

ischemic necrosis

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

miliaria

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

hyperhidrosis

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

moles

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

Kaposi's sarcoma

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

melanoma

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

malignant melanoma

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

basal cell carcinoma

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

squamous cell carcinoma

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

poison ivy

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

poison oak

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

contact dermatitis

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

atopic dermatitis

Patent; FOAMIX LTD.; WO2005/18530; (2005); (A2) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

purpura

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

moniliasis

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

candidiasis

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

baldness

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

Behcet's syndrome

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

cholesteatoma

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

Dercum disease

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

ectodermal dysplasia

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

gustatory sweating

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

nail patella syndrome

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

lupus

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

hives

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

hair loss

Patent; Lee, Richard; Garzouzi, Victoria L.; US2005/163811; (2005); (A1) English, View in Reaxys; Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

Hailey-Hailey disease

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

chemical or thermal skin burns

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

scleroderma

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

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aging skin

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

wrinkles

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

sun spots

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

necrotizing fasciitis

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

necrotizing myositis

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

gangrene

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

scarring and vitiligo

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

acne vulgaris

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

inflammatory acne

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

non-inflammatory acne

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

acne fulminans

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

nodular papulopustular acne

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

acne conglobata

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

dermatological treatment agent

Patent; Pharmacia Corporation; US2005/14729; (2005); (A1) English, View in Reaxys

skin brightening agent

Patent; Ciba Specialty Chemicals Holding Inc.; EP1366757; (2003); (A1) German, View in Reaxys

Component of cosmetic composition for topical treatment of skin

Patent; Jan Marini Skin Research Inc.; EP1369107; (2003); (A1) English, View in Reaxys

Isolation from Natural Product (32) Isolation from Nat- References ural Product seeds of Cicer arietinum L., chickpea, provided from Field Crops Research Institute, Agricultural Research Center, Giza, Egypt

Castanea sativa honey, chestnut honey

Schievano, Elisabetta; Morelato, Elisa; Facchin, Chiara; Mammi, Stefano; Journal of Agricultural and Food Chemistry; vol. 61; nb. 8; (2013); p. 1747 - 1755, View in Reaxys

Citrus sinensis honey, orange honey

Schievano, Elisabetta; Morelato, Elisa; Facchin, Chiara; Mammi, Stefano; Journal of Agricultural and Food Chemistry; vol. 61; nb. 8; (2013); p. 1747 - 1755, View in Reaxys

Eucalyptus spp. Schievano, Elisabetta; Morelato, Elisa; Facchin, Chiara; Mammi, Stefano; Journal of Agricultural and Food honey, eucalyptus Chemistry; vol. 61; nb. 8; (2013); p. 1747 - 1755, View in Reaxys honey Robinia acacia L. honey, acacia honey

Schievano, Elisabetta; Morelato, Elisa; Facchin, Chiara; Mammi, Stefano; Journal of Agricultural and Food Chemistry; vol. 61; nb. 8; (2013); p. 1747 - 1755, View in Reaxys

Tilia cordata honey, linden honey

Schievano, Elisabetta; Morelato, Elisa; Facchin, Chiara; Mammi, Stefano; Journal of Agricultural and Food Chemistry; vol. 61; nb. 8; (2013); p. 1747 - 1755, View in Reaxys

whole plant of Saussurea deltoi-

Xu, Jun-Ju; Huang, Huo-Qiang; Zeng, Guang-Zhi; Tan, Ning-Hua; Fitoterapia; vol. 83; nb. 6; (2012); p. 1125 - 1130, View in Reaxys

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dea; collected from the city of Kunming, Yunnan province, People's Republic of China aerial parts of Car- Johansen, Kenneth T.; Wubshet, Sileshi G.; Nyberg, Nils T.; Jaroszewski, Jerzy W.; Journal of Natural thamus oxyacan- Products; vol. 74; nb. 11; (2011); p. 2454 - 2461, View in Reaxys tha M. Bieb (Asteraceae); collected in Golestan National Park, northern Iran rhizome of Acorus Dong, Weiwei; Yang, Dajian; Lu, Runhua; Planta Medica; vol. 76; nb. 5; (2010); p. 454 - 457, calamus L View in Reaxys Tuber indicum Zhang, An-Ling; Zhao; Chen, Hui; Liu, La-Ping; Konishi, Yasuo; Gao, Jin-Ming; Chemistry of Natural Cooke et Massee Compounds; vol. 43; nb. 3; (2007); p. 349 - 350, View in Reaxys collected in Yunnan province, China whole plant of Xie, Haihui; Wang, Tao; Matsuda, Hisashi; Morikawa, Toshio; Yoshikawa, Masayuki; Tani, Tadato; ChemSaussurea medu- ical and Pharmaceutical Bulletin; vol. 53; nb. 11; (2005); p. 1416 - 1422, View in Reaxys sa Maxim. (Chinese name: xuelianhua; Kunming, Yunnan province, China, September 2001) roots of Cynanchum atratum BUNGE (Asclepiadaceae)

Lee, Ki Yong; Sung, Sang Hyun; Kim, Young Choong; Helvetica Chimica Acta; vol. 86; nb. 2; (2003); p. 474 - 483, View in Reaxys

Fritillaria hupehensis Hsiao and K.C. Hsia; bulbs

Ruan, Hanli; Zhang, Yonghui; Wu, Jizhou; Deng, Shukai; Sun, Handong; Fujita, Tetsuro; Fitoterapia; vol. 73; nb. 4; (2002); p. 288 - 291, View in Reaxys

Ya-dan-zi (Brucea Su, Bao-Ning; Leng, Chee Chang; Eun, Jung Park; Cuendet, Muriel; Santarsiero, Bernard D.; Mesecar, javanica (L.) Merr. Andrew D.; Mehta, Rajendra G.; Fong, Harry H. S.; Pezzuto, John M.; Kinghorn, A. Douglas; Planta Medica; (Simaroubaceae) vol. 68; nb. 8; (2002); p. 730 - 733, View in Reaxys seeds) Schnabelia tetradonta (Sun) C. Y. Wu et C. Chen (Lamiaceae), "Jin Gu Cao"

Dou, Hui; Zhou, Yan; Chen, Changxiang; Peng, Shulin; Liao, Xun; Ding, Lisheng; Journal of Natural Products; vol. 65; nb. 12; (2002); p. 1777 - 1781, View in Reaxys

leaves of Corcho- Yoshikawa, Masayuki; Murakami, Toshiyuki; Shimada, Hiromi; Yoshizumi, Satoshi; Saka, Masami; Yarus olitorius L. (Ti- mahara, Johji; Matsuda, Hisashi; Chemical and Pharmaceutical Bulletin; vol. 46; nb. 6; (1998); p. 1008 - 1014, liaceae) View in Reaxys Phycomyces blakesleeanus strain NRRL1555

Barrero, Alejandro F.; Oltra, Juan E.; Poyatos, Juan A.; Phytochemistry; vol. 42; nb. 5; (1996); p. 1427 1433, View in Reaxys

roots of Phaseolus vulgaris

Masamune, Tadashi; Anetai, Masaki; Fukuzawa, Akio; Tagasuki, Mitsuo; Matsue, Hideki; et al.; Bulletin of the Chemical Society of Japan; vol. 60; nb. 3; (1987); p. 981 - 1000, View in Reaxys

oxidiertes Leinoel

McInnes et al.; Canadian Journal of Chemistry; vol. 39; (1961); p. 1906,1910, View in Reaxys

Schale v. Granny- Davenport; Australian Journal of Chemistry; vol. 13; (1960); p. 411,414, View in Reaxys Smith-Aepfeln in ranziger Butter

Achaya; Biochemical Journal; vol. 44; (1949); p. 561,564, View in Reaxys

im Harn traechtig- Lederer; Polonsky; Biochimica et Biophysica Acta; vol. 2; (1948); p. 432; Chem.Abstr.; (1949); p. 2685, er Stuten View in Reaxys im Borkenoel von Pinus silvestris

Pajari; Annales Academiae Scientiarum Fennicae, Series A; vol. 59; nb. 6; (1942); p. 7; Chem.Abstr.; (1944); p. 4649; Chem. Zentralbl.; vol. 114; nb. I; (1943); p. 1898, View in Reaxys

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im Harn nach Ve- Keil; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie; vol. 274; (1942); p. 184, View in Reaxys; Emmrabreichung von rich; Nebe; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie; vol. 266; (1940); p. 177,179, synthetischem View in Reaxys Fett, das Fettsaeuren mit ungerader Kohlenstoffzahl enthaelt, an Menschen und Hunde Zum Verkommen Hanson; Ernaehrung; vol. 6; (1941); p. 273; Chem. Zentralbl.; vol. 113; nb. I; (1942); p. 2153, im Harn von Men- View in Reaxys schen im Harn von Kuehen

Mueller; Journal of Biological Chemistry; vol. 119; (1937); p. 121,128, View in Reaxys

im Harn nach Verabreichung von Tripelargonin an Menschen und Hunde

Verkade; van der Lee; van Alphen; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie; vol. 247; (1937); p. 113; Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical Sciences; vol. 36; (1933); p. 315, View in Reaxys

im Harn nach Ver- Flaschentraeger; Berndhard; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie; vol. 238; (1936); p. 231, fuetterung von Pe- View in Reaxys largonsaeure und von Methyl- oder Aethylpelargonat an Hunde im Harn nach Verabreichung von Nonan-dicarbonsaeure-(1.9) an Hunde

Verkade et al.; Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical Sciences; vol. 38; (1935); p. 945; Chem. Zentralbl.; vol. 107; nb. I; (1936); p. 371, View in Reaxys; Verkade; van der Lee; van Alphen; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie; vol. 237; (1935); p. 188; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie; vol. 250; (1937); p. 52, View in Reaxys

im Harn nach Verabreichung von Brassylsaeure an Hunde

Verkade; van der Lee; Recueil des Travaux Chimiques des Pays-Bas; vol. 54; (1935); p. 897, View in Reaxys

im Harn nach Verabreichung von Triundecylin an Menschen

Verkade; van der Lee; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie; vol. 227; (1934); p. 214,217; Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen, Series B: Physical Sciences; vol. 37; (1934); p. 463, View in Reaxys

Vorkommen in Kiesel; Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie; vol. 149; (1925); p. 244, View in Reaxys den Hydrolyseprodukten der mit Alkohol-Aether und Wasser extrahierten Sporen von Aspidium filix mas

Reaxys ID 3748589 View in Reaxys

O– O

2/172 CAS Registry Number: 17265-13-3 Chemical Name: disodium azelainate; sodium nonadioate; nonanedioic acid ; sodium-salt; Nonandisaeure; Natrium-Salz; disodium azelate; Dinatrium-azelat Linear Structure Formula: 2Na(1+)*C7H14C2O4 (2-)=C H C O Na 7 14 2 4 2 Molecular Formula: C9H14O4*2Na Molecular Weight: 232.187 Type of Substance: acyclic InChI Key: KITSBOHZGUHIOU-UHFFFAOYSA-L Note:

2 Na +

O– O

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Substance Label (1) Label References NaO2C(CH2)7CO Fukushima, Kunio; Watanabe, Toshiaki; Umemura, Matome; Journal of Molecular Structure; vol. 146; ONa (1986); p. 61 - 70, View in Reaxys Density (1) 1 of 1

Density [g·cm-3]

1.45

Measurement Tempera- 30 ture [°C] Pathak; Bhide; Journal of the Indian Chemical Society; vol. 30; (1953); p. 47,48, View in Reaxys Conformation (1) Object of Investi- References gation Conformation

Fukushima, Kunio; Watanabe, Toshiaki; Umemura, Matome; Journal of Molecular Structure; vol. 146; (1986); p. 61 - 70, View in Reaxys

Dielectric Constant (1) Dielectric ConTemperature (Die- References stant lectric Constant) [°C] 4.16

Beresowskaja et al.; Ukrainskii Khimicheskii Zhurnal (Russian Edition); vol. 24; (1958); p. 741; Chem.Abstr.; (1959); p. 19535, View in Reaxys

Raman Spectroscopy (1) Description (Ram- Comment (Raman References an Spectroscopy) Spectroscopy) Spectrum

H2O

Fukushima, Kunio; Watanabe, Toshiaki; Umemura, Matome; Journal of Molecular Structure; vol. 146; (1986); p. 61 - 70, View in Reaxys

Reaxys ID 3919075 View in Reaxys

O–

3/172 CAS Registry Number: 66582-96-5 Chemical Name: copper(II) azelate; copper azelate; nonanedioic acid ; copper (II)-salt; Nonandisaeure; Kupfer(II)-Salz; Nonandisaeure; Kupfer(II)-Verbindung; Kupfer(II)-azelat Linear Structure Formula: Cu(2+)*OOC(CH2)7COO(2-)=CuC9H14O4 Molecular Formula: C9H14O4*Cu Molecular Weight: 249.754 Type of Substance: acyclic InChI Key: OLDQZPLCLDNEQJ-UHFFFAOYSA-L Note:

O– Cu 2+

Crystal Property Description (1) Colour & Other References Properties bluegreen

Gantter, F.; Hell, C.; Ber.; vol. 14; (1881); p. 560 - 566, View in Reaxys; vol. Cu: MVol.B2; 57, page 746 - 748 ; (from Gmelin), View in Reaxys

Magnetic Susceptibility (2) Magnetic SusTemperature ceptibility (Magnetic Sus[10-6cm3mol-1] ceptibility) [°C]

References

751

16.9

Asai et al.; Journal of Physical Chemistry; vol. 63; (1959); p. 96; Naturwissenschaften; vol. 46; (1959); p. 12, View in Reaxys

1040

Ploquin; Bulletin de la Societe Chimique de France; (1951); p. 757,761, View in Reaxys

Solubility (MCS) (2) 1 of 2

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

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Comment (Solubility (MCS))

0.010 part(s) of substance.dissolves in:100 parts of solvent.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys 2 of 2

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

Solubility: 1.E-2 g/100g solvent

Gantter, F.; Hell, C.; Ber.; vol. 14; (1881); p. 560 - 566, View in Reaxys; vol. Cu: MVol.B2; 57, page 746 - 748 ; (from Gmelin), View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Intensity of IR bands; Bands

Reaxys ID 3749079 View in Reaxys

O–

4/172 CAS Registry Number: 51288-26-7 Chemical Name: manganese azelate monohydrate; manganese(II) azelate; manganese azelate; nonanedioic acid ; manganese (II)-salt; Nonandisaeure; Mangan(II)-Salz Linear Structure Formula: Mn(2+)*(CH2)7C2O4 (2-)=Mn(CH )7C O 2 2 4 Molecular Formula: C9H14O4*Mn Molecular Weight: 241.146 Type of Substance: acyclic InChI Key: ITDZYBRYSZFEHD-UHFFFAOYSA-L Note:

O– Mn2+

Decomposition (1) 1 of 1

Decomposition [°C]

295 - 309

Suzuki, Yukihiko; Muraishi, Kazuo; Ito, Hiroko; Thermochimica Acta; vol. 258; (1995); p. 231 - 242 ; (from Gmelin), View in Reaxys Electrochemical Behaviour (1) Description (Elec- Comment (Electrochemical Betrochemical Behaviour) haviour) Stability constant

(Wasser).

References

Li et al.; Journal of the American Chemical Society; vol. 79; (1957); p. 5864,5866, View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Intensity of IR bands; Bands; Spectrum

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Reaxys ID 3905828 View in Reaxys

O–

5/172 CAS Registry Number: 13479-16-8 Chemical Name: nonane-1,9-dicarboxylate; azelaate dianion; azelate anion Linear Structure Formula: C9H14O4 (2-) Molecular Formula: C9H14O4 Molecular Weight: 186.208 Type of Substance: acyclic InChI Key: BDJRBEYXGGNYIS-UHFFFAOYSA-L Note:

O–

Substance Label (1) Label References Azel(2-)

Lemonnier, Jean-Franois; Floquet, Sebastien; Kachmar, Ali; Rohmer, Marie-Madeleine; Benard, Marc; Marrot, Jerome; Terazzi, Emmanuel; Piguet, Claude; Cadot, Emmanuel; Dalton Transactions; nb. 28; (2007); p. 3043 - 3054, View in Reaxys

Association (MCS) (2) 1 of 2

Description (Association Association with compound (MCS)) Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

Na(1+)

Crea, Francesco; De Robertis, Alessandro; Sammartano, Silvio; Journal of Solution Chemistry; vol. 33; nb. 5; (2004); p. 499 - 528, View in Reaxys 2 of 2

Description (Association NMR spectrum of the complex (MCS)) Partner (Association (MCS))

alpha-cyclodextrin

Watanabe, Midori; Nakamura, Hiroshi; Matsuo, Taku; Bulletin of the Chemical Society of Japan; vol. 65; nb. 1; (1992); p. 164 - 169, View in Reaxys Dissociation Exponent (4) 1 of 4

Dissociation Exponent (pK)

5.498

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

b1/thermodynamic

Crea, Francesco; De Robertis, Alessandro; Sammartano, Silvio; Journal of Solution Chemistry; vol. 33; nb. 5; (2004); p. 499 - 528, View in Reaxys 2 of 4

Dissociation Exponent (pK)

10.048

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

b2/thermodynamic

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Crea, Francesco; De Robertis, Alessandro; Sammartano, Silvio; Journal of Solution Chemistry; vol. 33; nb. 5; (2004); p. 499 - 528, View in Reaxys 3 of 4

Dissociation Exponent (pK)

4.986 - 5.646

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

solution

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

b1/apparent

Comment (Dissociation Exponent)

in the presence of salts. Object(s) of Study: in the presence of organic compounds

Crea, Francesco; De Robertis, Alessandro; Sammartano, Silvio; Journal of Solution Chemistry; vol. 33; nb. 5; (2004); p. 499 - 528, View in Reaxys 4 of 4

Dissociation Exponent (pK)

9.244 - 10.65

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

solution

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

b2/apparent

Comment (Dissociation Exponent)

in the presence of salts. Object(s) of Study: in the presence of organic compounds

Crea, Francesco; De Robertis, Alessandro; Sammartano, Silvio; Journal of Solution Chemistry; vol. 33; nb. 5; (2004); p. 499 - 528, View in Reaxys NMR Spectroscopy (4) 1 of 4

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- D2O scopy) Lemonnier, Jean-Franois; Floquet, Sebastien; Kachmar, Ali; Rohmer, Marie-Madeleine; Benard, Marc; Marrot, Jerome; Terazzi, Emmanuel; Piguet, Claude; Cadot, Emmanuel; Dalton Transactions; nb. 28; (2007); p. 3043 3054, View in Reaxys 2 of 4

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- D2O scopy) Comment (NMR Spectroscopy)

ambient temperature

Description (NMR Spec- Spectrum troscopy)

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Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- D2O scopy) Frequency (NMR Spectroscopy) [MHz]

300

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- D2O scopy) Temperature (NMR Spectroscopy) [°C]

Watanabe, Midori; Nakamura, Hiroshi; Matsuo, Taku; Bulletin of the Chemical Society of Japan; vol. 65; nb. 1; (1992); p. 164 - 169, View in Reaxys Mass Spectrometry (1) Description (Mass References Spectrometry) spectrum

McCarley, Tracy Donovan; McCarley, Robin L.; Analytical Chemistry; vol. 69; nb. 2; (1997); p. 130 - 136, View in Reaxys

Reaxys ID 3919305 View in Reaxys

6/172 CAS Registry Number: 63075-84-3; 82169-85-5; 122137-76-2 Chemical Name: α,ω-heptanedicarboxylic acid diammonium salt; nonanedioic acid ; diammonium salt; Nonandisaeure; Diammonium-Salz; Nonandisaeure; Neutrales Ammoniumsalz; Nonandisaeure; Diammonium-Verbindung Linear Structure Formula: C9H16O4*2H3N Molecular Formula: C9H16O4*2H3N Molecular Weight: 222.285 Type of Substance: acyclic InChI Key: IKFMRFYLIRAXAJ-UHFFFAOYSA-N Note:

H 2 OH

N H

O OH

Melting Point (1) 1 of 1

Melting Point [°C]

150 - 155

Comment (Melting Point) nach Erweichen bei 130-135grad. Stumpf; Am.Paint J.; vol. 38; nb. 45; (1954); p. 60,61, View in Reaxys Density (1) 1 of 1

Density [g·cm-3]

1.163

Reference Temperature [°C]

Measurement Tempera- 25 ture [°C] Biltz; Balz; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 339, View in Reaxys Association (MCS) (1) 1 of 1

Description (Association Stability constant of the complex with ... (MCS))

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Solvent (Association (MCS))

H2O

Partner (Association (MCS))

alpha-cyclodextrin

Gabelica, Valerie; Galic, Nives; Rosu, Frederic; Houssier, Claude; De Pauw, Edwin; Journal of Mass Spectrometry; vol. 38; nb. 5; (2003); p. 491 - 501, View in Reaxys Electrochemical Behaviour (1) Description (Elec- Comment (Electrochemical Betrochemical Behaviour) haviour)

References

Enthalpy of disso- . ciation (electrolytic) / protonation

Biltz; Balz; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 339, View in Reaxys

Reaxys ID 3735284 View in Reaxys

7/172 Chemical Name: butanediyldiamine; azelate; Butandiyldiamin; Azelainat Linear Structure Formula: C9H16O4*C4H12N2 Molecular Formula: C4H12N2*C9H16O4 Molecular Weight: 276.376 Type of Substance: acyclic InChI Key: MAWZVHZJRDGSDX-UHFFFAOYSA-N Note:

OH O

NH 2

H 2N

Melting Point (1) 1 of 1

Melting Point [°C]

175

Solvent (Melting Point)

ethanol

Coffman et al.; Journal of Polymer Science; vol. 2; (1947); p. 308, View in Reaxys; Patent; Du Pont de Nemours and Co.; US2130947; (1936), View in Reaxys; Du Pont de Nemours and Co; Chem. Zentralbl.; vol. 110; nb. I; (1939); p. 4271, View in Reaxys

Reaxys ID 3749077 View in Reaxys

O–

8/172 CAS Registry Number: 7717-58-0; 14489-30-6; 25725-29-5; 87720-72-7 Chemical Name: lead(II) azelate; lead azelate; nonanedioic acid ; lead (II)-compound; Nonandisaeure; Blei(II)-Verbindung Linear Structure Formula: Pb(2+)*O2CC7H14CO2 (2-)=Pb(O CC H CO ) 2 7 14 2 Molecular Formula: C9H14O4*Pb Molecular Weight: 393.408 Type of Substance: acyclic; Coordination compound InChI Key: LVTRFIQEHJYGSM-UHFFFAOYSA-L Note:

O– Pb2+

O (v0)

Density (1) 1 of 1

Density [g·cm-3]

2.593

Measurement Tempera- -153.16 ture [°C] Type (Density)

crystallographic

Plater, M. John; De Silva, Ben; Gelbrich, Thomas; Hursthouse, Michael B.; Higgitt, Catherine L.; Saunders, David R.; Polyhedron; vol. 22; nb. 24; (2003); p. 3171 - 3179 ; (from Gmelin), View in Reaxys Conformation (1) Object of Investi- References gation

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Conformation

Crystal Phase (3) Description (Crys- References tal Phase) blocks

Structure of the solid

Single Crystal Xray Diffraction

Crystal Property Description (2) Colour & Other References Properties light brown

colorless

Crystal System (1) Crystal System References Monoclinic

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disSingle Crystal Xtances and angles ray Diffraction

Solubility (MCS) (1) 1 of 1

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.006 part(s) of substance.dissolves in:100 parts of solvent.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys Space Group (1) Space Group 11

Comment (Space Group)

References

a = 4.7455 AngPlater, M. John; De Silva, Ben; Gelbrich, Thomas; Hursthouse, Michael B.; Higgitt, stroem, b = 7.1813 Catherine L.; Saunders, David R.; Polyhedron; vol. 22; nb. 24; (2003); p. 3171 - 3179 ; Angstroem, c = (from Gmelin), View in Reaxys 14.7694 Angstroem, β = 91.814; Z = 2; T = 120 K

IR Spectroscopy (3) 1 of 3

Description (IR Spectroscopy)

Intensity of IR bands; Bands; Spectrum

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

potassium bromide

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Comment (IR Spectroscopy)

600 cm**-1 - 3250 cm**-1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

600 cm**-1 - 3250 cm**-1

Plater, M. John; De Silva, Ben; Gelbrich, Thomas; Hursthouse, Michael B.; Higgitt, Catherine L.; Saunders, David R.; Polyhedron; vol. 22; nb. 24; (2003); p. 3171 - 3179 ; (from Gmelin), View in Reaxys Raman Spectroscopy (1) Description (Ram- References an Spectroscopy) Bands; Spectrum

Reaxys ID 3749082 View in Reaxys

O–

9/172 CAS Registry Number: 856627-20-8 Chemical Name: zinc azelate; nonanedioic acid ; zinc (II)-compound; Nonandisaeure; Zink(II)-Verbindung Linear Structure Formula: C9H14O4 (2-)*Zn(2+) Molecular Formula: C9H14O4*Zn Molecular Weight: 251.598 Type of Substance: acyclic InChI Key: AXPCNWCNKKHVKH-UHFFFAOYSA-L Note:

O– Zn 2+

Substance Label (1) Label References BioMIL-5

Tamames-Tabar; Imbuluzqueta; Guillou; Serre; Miller; Elkam; Horcajada; Blanco-Prieto; CrystEngComm; vol. 17; nb. 2; (2015); p. 456 - 462, View in Reaxys

Crystal Property Description (1) Colour & Other References Properties white

Tamames-Tabar; Imbuluzqueta; Guillou; Serre; Miller; Elkam; Horcajada; Blanco-Prieto; CrystEngComm; vol. 17; nb. 2; (2015); p. 456 - 462, View in Reaxys

Crystal System (1) Crystal System References Rhombic

Tamames-Tabar; Imbuluzqueta; Guillou; Serre; Miller; Elkam; Horcajada; Blanco-Prieto; CrystEngComm; vol. 17; nb. 2; (2015); p. 456 - 462, View in Reaxys

Solubility (MCS) (1) 1 of 1

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.026 part(s) of substance.dissolves in:100 parts of solvent.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys Space Group (1) Space Group

Comment (Space Group)

References

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a = 47.288 Å; b = 4.7297 Å; c = 9.3515 Å

Tamames-Tabar; Imbuluzqueta; Guillou; Serre; Miller; Elkam; Horcajada; BlancoPrieto; CrystEngComm; vol. 17; nb. 2; (2015); p. 456 - 462, View in Reaxys

IR Spectroscopy (2) 1 of 2

Description (IR Spectroscopy)

Bands

Tamames-Tabar; Imbuluzqueta; Guillou; Serre; Miller; Elkam; Horcajada; Blanco-Prieto; CrystEngComm; vol. 17; nb. 2; (2015); p. 456 - 462, View in Reaxys 2 of 2

Description (IR Spectroscopy)

Intensity of IR bands; Bands; Spectrum

Pharmacological Data (1) 1 of 1

Comment (Pharmacological Data)

physiological behaviour discussed

Tamames-Tabar; Imbuluzqueta; Guillou; Serre; Miller; Elkam; Horcajada; Blanco-Prieto; CrystEngComm; vol. 17; nb. 2; (2015); p. 456 - 462, View in Reaxys

Reaxys ID 6309891 View in Reaxys

O–

10/172 Chemical Name: Di-n-tetrabutylammonium-heptadicarbonat Linear Structure Formula: 2C16H36N(1+)*C9H14O4 (2-) Molecular Formula: C9H14O4*2C16H36N Molecular Weight: 671.145 Type of Substance: acyclic InChI Key: GDSBPOXQWXLJCH-UHFFFAOYSA-L Note:

O– 2

O N+

Substance Label (1) Label References C9

Gotor, Raul; Costero, Ana M.; Gavina, Pablo; Gil, Salvador; Parra, Margarita; European Journal of Organic Chemistry; nb. 8; (2013); p. 1515 - 1520, View in Reaxys

Liquid/Solid Systems (MCS) (1) 1 of 1

Description (Liquid/Solid Liquid/solid phase diagram Systems (MCS)) Partner (Liquid/Solid Systems (MCS))

H2O

Nakayama,H.; Watanabe,K.; Bulletin of the Chemical Society of Japan; vol. 51; (1978); p. 2518 - 2522, View in Reaxys NMR Spectroscopy (2) 1 of 2

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

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Duan, Qunpeng; Xia, Wei; Hu, Xiaoyu; Ni, Mengfei; Jiang, Juli; Lin, Chen; Pan, Yi; Wang, Leyong; Chemical Communications; vol. 48; nb. 68; (2012); p. 8532 - 8534, View in Reaxys 2 of 2

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

100

Location

supporting information

Duan, Qunpeng; Xia, Wei; Hu, Xiaoyu; Ni, Mengfei; Jiang, Juli; Lin, Chen; Pan, Yi; Wang, Leyong; Chemical Communications; vol. 48; nb. 68; (2012); p. 8532 - 8534, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry) ESI (Electrospray ionisation); Negative ion spectroscopy; Spectrum

References

supporting information

Duan, Qunpeng; Xia, Wei; Hu, Xiaoyu; Ni, Mengfei; Jiang, Juli; Lin, Chen; Pan, Yi; Wang, Leyong; Chemical Communications; vol. 48; nb. 68; (2012); p. 8532 - 8534, View in Reaxys

Reaxys ID 17093597 View in Reaxys

–O

11/172

O– H O

Chemical Name: scandium azelaate Linear Structure Formula: 2Sc(3+)*3C9H14O4 (2-)*H O=Sc (C H O )3*H O 2 2 9 14 4 2 Molecular Formula: 3C9H14O4*H2O*2Sc Molecular Weight: 666.55 InChI Key: UNLGDGMBCOBFPE-UHFFFAOYSA-L Note:

Sc 3+

O O

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Signals [cm-1]

520

vol. Sc: MVol.D5; 1.2.10.1, page 178 - 179, View in Reaxys; Kurpiel, R.; Brzyska, W.; Zesz. Nauk. Politech. Slask. Chem.; vol. 677; (1981); p. 155 - 163; C.A.; vol. 98; (1983); p. 190859 ; (from Gmelin), View in Reaxys

Reaxys ID 17097323 View in Reaxys

O –

12/172 Chemical Name: ammonium azelaate Linear Structure Formula: 2NH4 (1+)*OOC(CH2)7COO(2-) Molecular Formula: C9H14O4*2H4N Molecular Weight: 222.285 InChI Key: IKFMRFYLIRAXAJ-UHFFFAOYSA-M Note:

O 2 O–

N+ H H

Reaxys ID 17102771 View in Reaxys

13/172

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–O

O–

Chemical Name: scandium azelaate Linear Structure Formula: 2Sc(3+)*3C9H14O4 (2-)=Sc (C H O )3 2 9 14 4 Molecular Formula: 3C9H14O4*2Sc Molecular Weight: 648.535 InChI Key: IQFKAVNEECJJLA-UHFFFAOYSA-L Note:

2 Sc 3+

3 O

Decomposition (2) 1 of 2

Decomposition [°C]

275 - 560

Decomposition [°C]

326 - 401

Turova, L. I.; Serebrennikov, V. V.; Trudy Tomskogo Gosudarstvennogo Universiteta; vol. 240; (1973); p. 135 - 137; C.A.; vol. 80; (1974); p. 70252, View in Reaxys; vol. Sc: MVol.D5; 1.2.10.1, page 178 - 179 ; (from Gmelin), View in Reaxys

Reaxys ID 3727380 View in Reaxys

14/172 CAS Registry Number: 18733-01-2 Chemical Name: ethylenediamine; nonanedioate; Aethylendiamin; Nonandioat Linear Structure Formula: C9H16O4*C2H8N2 Molecular Formula: C2H8N2*C9H16O4 Molecular Weight: 248.323 Type of Substance: acyclic InChI Key: UHFLIVHRJPPGGD-UHFFFAOYSA-N Note:

OH H 2N O

NH 2

Melting Point (2) 1 of 2

Melting Point [°C]

152

Karapetjan; Khimicheskaya Nauka i Promyshlennost; vol. 3; (1958); p. 832; Chem.Abstr.; (1959); p. 10116, View in Reaxys 2 of 2

Melting Point [°C]

145

Schpital'nyi; Charit; Zhurnal Obshchei Khimii; vol. 28; (1958); p. 2687,2689; engl. Ausg. S. 2715, 2717, View in Reaxys

Reaxys ID 3746958 View in Reaxys

O– O

15/172 CAS Registry Number: 117489-70-0 Chemical Name: nonanedioic acid; disilver salt; nonanedioic acid ; disilver (I)-compound; Nonandisaeure; Disilber(I)-Verbindung; azelaic acid; disilver salt Linear Structure Formula: C9H14O4 (2-)*2Ag(1+) Molecular Formula: 2Ag*C9H14O4 Molecular Weight: 401.944 Type of Substance: acyclic InChI Key: WOWUBGWZYSVICN-UHFFFAOYSA-L Note:

2 Ag+

O– O

Solubility (MCS) (1) 1 of 1

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

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Comment (Solubility (MCS))

0.0015 part(s) of substance.dissolves in:100 parts of solvent.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys

Reaxys ID 3749078 View in Reaxys

O–

16/172 CAS Registry Number: 46353-85-9 Chemical Name: calcium azelate; nonanedioic acid ; calcium compound; Nonandisaeure; Calcium-Verbindung Linear Structure Formula: C9H14O4 (2-)*Ca(2+) Molecular Formula: C9H14O4*Ca Molecular Weight: 226.286 Type of Substance: acyclic InChI Key: IXMCPRSLQPTREM-UHFFFAOYSA-L Note:

O– Ca 2+

Solubility (MCS) (2) 1 of 2

Temperature (Solubility (MCS)) [°C]

17.5

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.186 part(s) of substance.dissolves in:100 parts of solvent.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys 2 of 2

Temperature (Solubility (MCS)) [°C]

100

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.193 part(s) of substance.dissolves in:100 parts of solvent.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Intensity of IR bands; Bands; Spectrum

Reaxys ID 3749081 View in Reaxys

O–

17/172 CAS Registry Number: 20709-07-3 Chemical Name: cadmium azelate; nonanedioic acid ; cadmium (II)-compound; Nonandisaeure; Cadmium(II)-Verbindung Linear Structure Formula: C9H14O4 (2-)*Cd(2+) Molecular Formula: C9H14O4*Cd Molecular Weight: 298.618 Type of Substance: acyclic InChI Key: DYHFILLGKCKDGE-UHFFFAOYSA-L Note:

O– Cd 2+

Solubility (MCS) (1)

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1 of 1

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.064 part(s) of substance.dissolves in:100 parts of solvent.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Intensity of IR bands; Bands

Reaxys ID 3807419 View in Reaxys

18/172 CAS Registry Number: 115164-11-9 Chemical Name: 1,4-bis-(2-amino-ethyl)-benzene; compound with nonanedioic acid; 1,4-Bis-(2-amino-aethyl)-benzol; Verbindung mit Nonandisaeure Linear Structure Formula: C10H16N2*C9H16O4 Molecular Formula: C9H16O4*C10H16N2 Molecular Weight: 352.474 Type of Substance: isocyclic InChI Key: YLTZLJKWSDBDRR-UHFFFAOYSA-N Note:

OH O

H 2N

NH 2

Melting Point (2) 1 of 2

Melting Point [°C]

182 - 185

Patent; Chemstrand Corp.; BE611607; (1962); Chem.Abstr.; vol. 57; nb. 15003g; (1962), View in Reaxys 2 of 2

Melting Point [°C]

197

Yu; Evans; Journal of the American Chemical Society; vol. 81; (1959); p. 5361, View in Reaxys

Reaxys ID 3922655 View in Reaxys

19/172

Ba2+ O– O

Chemical Name: nonanedioic acid ; barium compound; Nonandisaeure; Barium-Verbindung Linear Structure Formula: C9H14O4 (2-)*Ba(2+)*H2O Molecular Formula: Ba*C9H14O4*H2O Molecular Weight: 341.553 Type of Substance: acyclic InChI Key: RQEVYEQYJLUXNP-UHFFFAOYSA-L Note:

O– O

Density (1) 1 of 1

Density [g·cm-3]

1.946

Measurement Tempera- 25 ture [°C] Strassmann; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie; vol. 26; (1934); p. 367, View in Reaxys

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Solubility (MCS) (2) 1 of 2

Temperature (Solubility (MCS)) [°C]

100

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.628 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys 2 of 2

Temperature (Solubility (MCS)) [°C]

16.5

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.650 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys

Reaxys ID 8297359 View in Reaxys

20/172

OH N O

Chemical Name: hexamethylenetetramine-azelaic acid; urotropin azelate Linear Structure Formula: C6H12N4*C9H16O4 Molecular Formula: C6H12N4*C9H16O4 Molecular Weight: 328.412 Type of Substance: heterocyclic InChI Key: NBRRRLOHKSJKIN-UHFFFAOYSA-N Note:

Melting Point (1) 1 of 1

Melting Point [°C]

127.84

Comment (Melting Point) Decomposition Bonin, Michel; Welberry, T. Richard; Hostettler, Marc; Gardon, Manuel; Birkedal, Henrik; Chapuis, Gervais; Moeckli, Pedro; Ogle, Craig A.; Schenk, Kurt J.; Acta Crystallographica Section B: Structural Science; vol. 59; nb. 1; (2003); p. 72 - 86, View in Reaxys Density (2) 1 of 2

Density [g·cm-3]

1.231

Measurement Tempera- 12.84 ture [°C] Type (Density)

crystallographic

Bonin, Michel; Welberry, T. Richard; Hostettler, Marc; Gardon, Manuel; Birkedal, Henrik; Chapuis, Gervais; Moeckli, Pedro; Ogle, Craig A.; Schenk, Kurt J.; Acta Crystallographica Section B: Structural Science; vol. 59; nb. 1; (2003); p. 72 - 86, View in Reaxys 2 of 2

Density [g·cm-3]

1.244

Type (Density)

crystallographic

Hostettler, Marc; Birkedal, Henrik; Gardon, Manuel; Chapuis, Gervais; Schwarzenbach, Dieter; Bonin, Michel; Acta Crystallographica Section B: Structural Science; vol. 55; nb. 3; (1999); p. 448 - 458, View in Reaxys Crystal Phase (6) Description (Crys- Temperature tal Phase) (Crystal Phase) [°C] Crystal structure determination

Comment (Crystal References Phase)

12.84

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Crystal structure determination

-15.16

Crystal structure determination

-73.16

Crystal structure determination

27.84

Crystal habit

Crystal structure determination

β=106.118 grad, a=5.8907 Angstroem, b=26.071 Angstroem, c=11.8868 Angstroem, n=4

Crystal System (2) Crystal System References rhombic

monoclinic

Hostettler, Marc; Birkedal, Henrik; Gardon, Manuel; Chapuis, Gervais; Schwarzenbach, Dieter; Bonin, Michel; Acta Crystallographica Section B: Structural Science; vol. 55; nb. 3; (1999); p. 448 - 458, View in Reaxys; Bonin, Michel; Welberry, T. Richard; Hostettler, Marc; Gardon, Manuel; Birkedal, Henrik; Chapuis, Gervais; Moeckli, Pedro; Ogle, Craig A.; Schenk, Kurt J.; Acta Crystallographica Section B: Structural Science; vol. 59; nb. 1; (2003); p. 72 - 86, View in Reaxys

Enthalpies of Other Phase Transitions (6) Enthalpies of Oth- Comment (Enthal- References er Phase Transi- pies of Other tions [Jmol-1] Phase Transitions) 541.88

From orthorhombic Bmmb crytals to monoclinic crystals with disordered acid group

515.607

From orthorhombic Bmmb crytals to P(c)c2 crystals

-571.437

From monoclinic crystals with disordered acid group to orthorhombic Bmmb crystals

-755.348

From P(c)c2 crys- Bonin, Michel; Welberry, T. Richard; Hostettler, Marc; Gardon, Manuel; Birkedal, tals to orthorhom- Henrik; Chapuis, Gervais; Moeckli, Pedro; Ogle, Craig A.; Schenk, Kurt J.; Acta Crysbic Bmmb crystals tallographica Section B: Structural Science; vol. 59; nb. 1; (2003); p. 72 - 86, View in Reaxys

-689.665

From monoclinic crystals with ordered acid group to orthorhombic Bmmb crystals

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164.206

From monoclinic crystals with disordered acid group to monoclinic crystals with ordered acid group

Interatomic Distances and Angles (2) Description Comment (Intera- References tomic Distances and Angles) Interatomic disMethod of detertances and angles mination: single crystal X-ray diffraction

Interatomic disMethod of detertances and angles mination: Single crystal X-ray diffraction

Space Group (3) Space Group

References

Hostettler, Marc; Birkedal, Henrik; Gardon, Manuel; Chapuis, Gervais; Schwarzenbach, Dieter; Bonin, Michel; Acta Crystallographica Section B: Structural Science; vol. 55; nb. 3; (1999); p. 448 - 458, View in Reaxys; Bonin, Michel; Welberry, T. Richard; Hostettler, Marc; Gardon, Manuel; Birkedal, Henrik; Chapuis, Gervais; Moeckli, Pedro; Ogle, Craig A.; Schenk, Kurt J.; Acta Crystallographica Section B: Structural Science; vol. 59; nb. 1; (2003); p. 72 - 86, View in Reaxys

Reaxys ID 15971662 View in Reaxys

–O

21/172

O– O

-1

Chemical Name: La azelaate Linear Structure Formula: 2La(3+)*3C9H14O4 (2-)*99H O=La (C H O )3*99H O 2 2 9 14 4 2 Molecular Formula: 3C9H14O4*(x)H2O*2La InChI Key: RRHMSMJFZXFGSU-UHFFFAOYSA-L Note:

La 3+ O

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Azikov, B. S.; Kharzeeva, S. E.; Serebrennikov, V. V.; Trudy Tomskogo Gosudarstvennogo Universiteta; vol. 204; (1971); p. 294 - 298; C.A.; vol. 77; (1972); p. 54507, View in Reaxys; vol. Sc: MVol.D5; 1.2.10.2, page 179 - 181 ; (from Gmelin), View in Reaxys

Reaxys ID 15971664 View in Reaxys

–

22/172

O–

O O

-1

Chemical Name: Lu azelaate Linear Structure Formula: 2Lu(3+)*3C9H14O4 (2-)*99H O=Lu (C H O )3*99H O 2 2 9 14 4 2 Molecular Formula: 3C9H14O4*(x)H2O*2Lu InChI Key: NIONGKSQXQXOGZ-UHFFFAOYSA-L Note:

Lu 3+ O

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IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Reaxys ID 15971815 View in Reaxys

–O

23/172

O– O

-1

Chemical Name: Sm azelaate Linear Structure Formula: 2Sm(3+)*3C9H14O4 (2-)*99H O=Sm (C H O )3*99H O 2 2 9 14 4 2 Molecular Formula: 3C9H14O4*(x)H2O*2Sm InChI Key: NNIAUMQRSRBBFU-UHFFFAOYSA-L Note:

Sm3+ O

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Reaxys ID 15973045 View in Reaxys

24/172

–O

O–

Chemical Name: Sm azelaate Linear Structure Formula: 2Sm(3+)*3C9H14O4 (2-)=Sm (C H O )3 2 9 14 4 Molecular Formula: 3C9H14O4*2Sm Molecular Weight: 859.343 InChI Key: XCDCIQNQHNPOKK-UHFFFAOYSA-L Note:

2 Sm3+

3 O

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Reaxys ID 15973230 View in Reaxys

25/172

–

O–

Chemical Name: Lu azelaate Linear Structure Formula: 2Lu(3+)*3C9H14O4 (2-)=Lu2(C9H14O4)3 Molecular Formula: 3C9H14O4*2Lu Molecular Weight: 908.557 InChI Key: GEBQCBFKHWPCRI-UHFFFAOYSA-L Note:

2 Lu 3+

3 O

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

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Reaxys ID 15973233 View in Reaxys

26/172

–O

O–

Chemical Name: La azelaate Linear Structure Formula: 2La(3+)*3C9H14O4 (2-)=La2(C9H14O4)3 Molecular Formula: 3C9H14O4*2La Molecular Weight: 836.434 InChI Key: YDKZZKIYJLYDOK-UHFFFAOYSA-L Note:

2 La 3+

3 O

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Reaxys ID 16732687 View in Reaxys

27/172 Chemical Name: {(π-C5H5)2Zr(azelate)}n Linear Structure Formula: 2C5H5 (1-)*Zr(4+)*O2C(CH2)7CO2 (2-)={(C H )2Zr(OC(O)(CH )7CO )} 5 5 2 2 Molecular Formula: 2C5H5*C9H14O4*Zr Molecular Weight: 407.621 Type of Substance: Coordination compound InChI Key: YNQYVWKUCGOTAR-UHFFFAOYSA-L Note:

(v4)–

HC 2 (v3)

O–

Zr 4+ O

O–

Solubility (MCS) (1) 1 of 1

Comment (Solubility (MCS))

insol. in most common solvents; sol. in ClCH2CH2OH;

Carraher, C. E.; European Polymer. J.; vol. 8; (1972); p. 215 - 220, View in Reaxys; vol. Zr: Org.Verb.; 5, page 72 73 ; (from Gmelin), View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Carraher, C. E.; European Polymer. J.; vol. 8; (1972); p. 215 - 220, View in Reaxys; vol. Zr: Org.Verb.; 5, page 72 73 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling

References

stable for one day Carraher, C. E.; European Polymer. J.; vol. 8; (1972); p. 215 - 220, View in Reaxys; vol. Zr: Org.Verb.; 5, page (in 72 - 73 ; (from Gmelin), View in Reaxys ClCH2CH2OH);

Reaxys ID 17091478 View in Reaxys

28/172 2 Ce 4+

4.5

H O

–

3 O

Chemical Name: basic cerium(IV) azelaate Linear Structure Formula: 2Ce(4+)*2OH(1-)*3C9H14O4 (2-)*4.5H O=Ce (OH)2(C H O )3*4.5H O 2 2 9 14 4 2 Molecular Formula: 3C9H14O4*2Ce*4H2O*H2O2 Molecular Weight: 953.947 InChI Key: KKOKLVQKEWCNCZ-UHFFFAOYSA-L Note:

–

H 2O2( 2-)

Crystal Property Description (1) Colour & Other References Properties

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yellow

Merkusheva, S. A.; Skopik, N. A.; Serebrennikov, V. V.; Radiokhimiya; vol. 10; (1968); p. 718 - 719; Radiokhimiya; vol. 10; (1968); p. 731 - 738, View in Reaxys; vol. Sc: MVol.D5; 1.2.10.2, page 179 - 181 ; (from Gmelin), View in Reaxys

Reaxys ID 20527289 View in Reaxys

O–

29/172 Chemical Name: Iron Azelate Linear Structure Formula: C9H14O4 (2-)*Fe(2+) Molecular Formula: C9H14O4*Fe Molecular Weight: 242.055 InChI Key: YQLBJDBLRSJVQH-UHFFFAOYSA-L Note:

O– Fe 2+

Reaxys ID 22000045 View in Reaxys 2

Chemical Name: ([Ag2(4,4'-bipyridine)2(azelate)]*3water)n; [Ag2(4,4'-bipyridine)2(azelate)(H2O)3]n; ([Ag2(bipy)2(aze)]*3H2O)n Linear Structure Formula: 2Ag(1+)*2NC5H4C5H4N*OOC(CH2)7COO(2-)*3H2O=Ag2(C10H8N2 )2(O2C(CH2)7COO)*3H2O Molecular Formula: 2Ag*C9H14O4*2C10H8N2*3H2O Molecular Weight: 768.364 Type of Substance: Coordination compound InChI Key: JEZBNKQABMJSSE-UHFFFAOYSA-L Note:

Ag+

O O–

30/172

2 O–

O 3

Density (1) 1 of 1

Density [g·cm-3]

1.733

Type (Density)

crystallographic

Luo, Geng-Geng; Wu, Dong-Liang; Liu, Li; Xia, Jiu-Xu; Li, Dong-Xu; Dai, Jing-Cao; Xiao, Zi-Jing; Journal of Molecular Structure; vol. 1005; nb. 1-3; (2011); p. 172 - 177 ; (from Gmelin), View in Reaxys Conformation (1) Object of Investi- References gation Conformation

Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1004; nb. 1-3; (2011); p. 313 - 318, View in Reaxys; Luo, Geng-Geng; Wu, Dong-Liang; Liu, Li; Xia, JiuXu; Li, Dong-Xu; Dai, Jing-Cao; Xiao, Zi-Jing; Journal of Molecular Structure; vol. 1005; nb. 1-3; (2011); p. 172 - 177 ; (from Gmelin), View in Reaxys

Crystal Phase (2) Description (Crys- References tal Phase) Structure of the solid

Single Crystal Xray Diffraction

Crystal Property Description (1) Colour & Other References Properties colorless

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Crystal System (1) Crystal System References Triclinic

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disSingle Crystal Xtances and angles ray Diffraction

Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1004; nb. 1-3; (2011); p. 313 - 318, View in Reaxys; Luo, GengGeng; Wu, Dong-Liang; Liu, Li; Xia, Jiu-Xu; Li, Dong-Xu; Dai, Jing-Cao; Xiao, ZiJing; Journal of Molecular Structure; vol. 1005; nb. 1-3; (2011); p. 172 - 177 ; (from Gmelin), View in Reaxys

Solubility (MCS) (1) 1 of 1

Comment (Solubility (MCS))

insol. in water and common organic solvents

Comment (Space Group)

References

a = 10.1035 Ang- Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of stroem, b = Molecular Structure; vol. 1004; nb. 1-3; (2011); p. 313 - 318 ; (from Gmelin), 10.3932 AngView in Reaxys stroem, c = 15.2929 Angstroem, α = 76.8780, β = 72.2160, γ = 86.8610; Z = 2; T = 173 K

a = 10.048 AngLuo, Geng-Geng; Wu, Dong-Liang; Liu, Li; Xia, Jiu-Xu; Li, Dong-Xu; Dai, Jing-Cao; stroem, b = 10.366 Xiao, Zi-Jing; Journal of Molecular Structure; vol. 1005; nb. 1-3; (2011); p. 172 - 177 ; (from Angstroem, c = Gmelin), View in Reaxys 15.233 Angstroem, α = 77.056, β = 72.279, γ = 86.777; Z = 2; atomic positions available

IR Spectroscopy (2) 1 of 2

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

801 cm**-1 - 3461 cm**-1

Sun, Di; Liu, Fu-Jing; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1004; nb. 1-3; (2011); p. 313 - 318 ; (from Gmelin), View in Reaxys 2 of 2

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

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Reaxys ID 3744997 View in Reaxys

31/172

CAS Registry Number: 122137-76-2 Chemical Name: nonanedioic acid ; acidic ammonium salt; Nonandisaeure; Saures Ammoniumsalz Linear Structure Formula: C9H16O4*H3N Molecular Formula: C9H16O4*H3N Molecular Weight: 205.254 Type of Substance: acyclic InChI Key: IKFMRFYLIRAXAJ-UHFFFAOYSA-N Note:

H N

Density (1) 1 of 1

Density [g·cm-3]

1.203

Reference Temperature [°C]

Measurement Tempera- 25 ture [°C] Biltz; Balz; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 339, View in Reaxys Electrochemical Behaviour (1) Description (Elec- Comment (Electrochemical Betrochemical Behaviour) haviour)

References

Enthalpy of disso- . ciation (electrolytic) / protonation

Biltz; Balz; Zeitschrift fuer Anorganische und Allgemeine Chemie; vol. 170; (1928); p. 339, View in Reaxys

Reaxys ID 3746093 View in Reaxys

32/172 CAS Registry Number: 38775-37-0 Chemical Name: hexanediyldiamine; nonanedioate; Hexandiyldiamin; Nonandioat; azelaic acid, compound with hexane-1,6-diamine (1:1) Linear Structure Formula: C9H16O4*C6H16N2 Molecular Formula: C6H16N2*C9H16O4 Molecular Weight: 304.43 Type of Substance: acyclic InChI Key: LQNCHIQVPSEFRS-UHFFFAOYSA-N Note:

OH H 2N O

NH 2

Melting Point (1) 1 of 1

Melting Point [°C]

146 - 147

Schpital'nyi; Charit; Zhurnal Obshchei Khimii; vol. 28; (1958); p. 2687,2689; engl. Ausg. S. 2715, 2717, View in Reaxys

Reaxys ID 3749080 View in Reaxys

O–

33/172 Chemical Name: nonanedioic acid ; nickel (II)-salt; Nonandisaeure; Nickel(II)-Salz Linear Structure Formula: C9H14O4 (2-)*Ni(2+) Molecular Formula: C9H14O4*Ni Molecular Weight: 244.898 Type of Substance: acyclic InChI Key: VHIJTXPWGGDZFM-UHFFFAOYSA-L Note:

O– Ni 2+

Magnetic Susceptibility (1)

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Magnetic Susceptibility [10-6cm3mol-1]

Temperature (Magnetic Susceptibility) [°C]

References

4680

Ploquin; Bulletin de la Societe Chimique de France; (1951); p. 757,761, View in Reaxys

Reaxys ID 3754372 View in Reaxys

34/172

OH O

CAS Registry Number: 66027-29-0 Chemical Name: piperazine; nonanedioate; Piperazin; Nonandioat Linear Structure Formula: C9H16O4*C4H10N2 Molecular Formula: C4H10N2*C9H16O4 Molecular Weight: 274.36 Type of Substance: heterocyclic InChI Key: MPWSLGKTACKNGH-UHFFFAOYSA-N Note:

H N

N H

Melting Point (1) 1 of 1

Melting Point [°C]

135

Lieser; Gehlen-Keller; Justus Liebigs Annalen der Chemie; vol. 556; (1944); p. 119, View in Reaxys

Reaxys ID 3754716 View in Reaxys

35/172 CAS Registry Number: 62694-70-6 Chemical Name: octanediyldiamine; nonanedioate; Octandiyldiamin; Nonandioat Linear Structure Formula: C9H16O4*C8H20N2 Molecular Formula: C8H20N2*C9H16O4 Molecular Weight: 332.484 Type of Substance: acyclic InChI Key: BQTWEGUNYJGYBP-UHFFFAOYSA-N Note:

OH O

NH 2

H 2N

Melting Point (1) 1 of 1

Melting Point [°C]

161

Yu; Evans; Journal of the American Chemical Society; vol. 81; (1959); p. 5361, View in Reaxys

Reaxys ID 3764390 View in Reaxys

36/172

OH H 2N O

NH 2

CAS Registry Number: 109647-94-1 Chemical Name: decanediyldiamine; nonanedioate; Decandiyldiamin; Nonandioat Linear Structure Formula: C10H24N2*C9H16O4 Molecular Formula: C9H16O4*C10H24N2 Molecular Weight: 360.538 Type of Substance: acyclic InChI Key: QPSBCOBTVGYOKU-UHFFFAOYSA-N Note:

Melting Point (1) 1 of 1

Melting Point [°C]

169 - 170

Solvent (Melting Point)

propan-1-ol

Flory et al.; Journal of Polymer Science; vol. 28; (1958); p. 151, View in Reaxys

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Reaxys ID 3768734 View in Reaxys

37/172

CAS Registry Number: 119040-68-5 Chemical Name: nonanedioic acid ; hydrazinium hydrogenazelate; Nonandisaeure; Hydrazinium-hydrogenazelainat Linear Structure Formula: C9H16O4*H4N2 Molecular Formula: C9H16O4*H4N2 Molecular Weight: 220.269 Type of Substance: acyclic InChI Key: FUQPVGVSMRHSNH-UHFFFAOYSA-N Note:

OH H 2N O

NH 2

Melting Point (1) 1 of 1

Melting Point [°C]

88 - 89

Solvent (Melting Point)

ethanol

Schpital'nyi; Charit; Zhurnal Obshchei Khimii; vol. 28; (1958); p. 2687,2689; engl. Ausg. S. 2715, 2717, View in Reaxys

Reaxys ID 3798057 View in Reaxys

38/172 Chemical Name: nonanedioic acid ; cobalt (II)-compound; Nonandisaeure; Kobalt(II)-Verbindung Linear Structure Formula: C9H14O4 (2-)*Co(2+)*6H2O Molecular Formula: C9H14O4*Co*6H2O Molecular Weight: 353.293 Type of Substance: acyclic InChI Key: OGTYXUMHOMACQY-UHFFFAOYSA-L Note:

Co 2+

O–

O– 6 H

H O

Solubility (MCS) (2) 1 of 2

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.693 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys 2 of 2

Temperature (Solubility (MCS)) [°C]

100

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.225 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys

Reaxys ID 3798228 View in Reaxys

39/172

3 H

O–

Chemical Name: nonanedioic acid ; magnesium compound; Nonandisaeure; Magnesium-Verbindung Linear Structure Formula: C9H14O4 (2-)*3H2O*Mg(2+) Molecular Formula: C9H14O4*3H2O*Mg Molecular Weight: 264.559 Type of Substance: acyclic InChI Key: TVYIWYVKMWPTGE-UHFFFAOYSA-L Note:

O– Mg2+

Solubility (MCS) (2)

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1 of 2

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

3.63 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys 2 of 2

Temperature (Solubility (MCS)) [°C]

100

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

4.74 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys

Reaxys ID 3798229 View in Reaxys

40/172

3 H

O–

Chemical Name: nonanedioic acid ; manganese (II)-compound; Nonandisaeure; Mangan(II)-Verbindung Linear Structure Formula: C9H14O4 (2-)*3H2O*Mn(2+) Molecular Formula: C9H14O4*3H2O*Mn Molecular Weight: 295.192 Type of Substance: acyclic InChI Key: JKDZXURUMMHOMB-UHFFFAOYSA-L Note:

O– Mn2+

Solubility (MCS) (2) 1 of 2

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.206 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys 2 of 2

Temperature (Solubility (MCS)) [°C]

100

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.108 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys

Reaxys ID 3798309 View in Reaxys

41/172

O–

Chemical Name: nonanedioic acid ; strontium compound; Nonandisaeure; Strontium-Verbindung Linear Structure Formula: C9H14O4 (2-)*H2O*Sr(2+) Molecular Formula: C9H14O4*H2O*Sr Molecular Weight: 291.843 Type of Substance: acyclic InChI Key: RRKKISKCBSFIPY-UHFFFAOYSA-L Note:

O– Sr2+

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Solubility (MCS) (2) 1 of 2

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.930 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys 2 of 2

Temperature (Solubility (MCS)) [°C]

100

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

1.853 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys

Reaxys ID 3799262 View in Reaxys

42/172

6 H

O–

Chemical Name: nonanedioic acid ; nickel (II)-compound; Nonandisaeure; Nickel(II)-Verbindung Linear Structure Formula: C9H14O4 (2-)*6H2O*Ni(2+) Molecular Formula: C9H14O4*6H2O*Ni Molecular Weight: 352.989 Type of Substance: acyclic InChI Key: FXKLOJVDVJFZHE-UHFFFAOYSA-L Note:

O– Ni 2+

Solubility (MCS) (2) 1 of 2

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.683 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys 2 of 2

Temperature (Solubility (MCS)) [°C]

100

Solvent (Solubility (MCS))

H2O

Comment (Solubility (MCS))

0.563 part(s) of substance.dissolves in:100 parts of solvent.in reinem Loesungsmittel:Loeslichkeit des wasserfreien Salzes.

Gantter; Hell; Chemische Berichte; vol. 14; (1881); p. 562, View in Reaxys

Reaxys ID 3799550 View in Reaxys

43/172 Chemical Name: nonanedioic acid ; calcium salt; Nonandisaeure; Calciumsalz Linear Structure Formula: C9H14O4 (2-)*Ca(2+)*H2O Molecular Formula: C9H14O4*Ca*H2O Molecular Weight: 244.301 Type of Substance: acyclic InChI Key: QWVWEKJPPISKIQ-UHFFFAOYSA-L

Ca 2+

O–

O– H

H O

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Note:

Reaxys ID 3817464 View in Reaxys

44/172

Bi3+ O–

O -1 H

(v0)

O–

(v1)

Chemical Name: nonanedioic acid ; bismuth (III)-compound with hydroxide; Nonandisaeure; Bismut(III)-Verbindung mit Hydroxid Linear Structure Formula: C9H14O4 (2-)*Bi(3+)*HO(1-) Molecular Formula: Bi*C9H14O4*HO Molecular Weight: 412.195 Type of Substance: acyclic InChI Key: HHPVAFJEJAAGBX-UHFFFAOYSA-L Note:

Reaxys ID 4040461 View in Reaxys

45/172

OH H 2N O

CAS Registry Number: 66923-62-4 Chemical Name: Azelaic acid Linear Structure Formula: C9H16O4*CH4N2O Molecular Formula: CH4N2O*C9H16O4 Molecular Weight: 248.279 Type of Substance: acyclic InChI Key: QAWLWCKCAGRDSK-UHFFFAOYSA-N Note:

O NH 2

Substance Label (1) Label References Harnstoff

Proskuryakov et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 46; (1973); p. 2281,2421, View in Reaxys

Melting Point (1) 1 of 1

Proskuryakov et al.; J. Appl. Chem. USSR (Engl. Transl.); vol. 46; (1973); p. 2281,2421, View in Reaxys

Reaxys ID 4043763 View in Reaxys

46/172

OH O

Linear Structure Formula: C9H16O4*C5H12N2 Molecular Formula: C5H12N2*C9H16O4 Molecular Weight: 288.387 Type of Substance: heterocyclic InChI Key: UDWVLQFODFCHGK-UHFFFAOYSA-N Note:

O N H

Substance Label (1) Label References Salz d. Komponenten

Duff et al.; Journal of Chemical Education; vol. 46; (1969); p. 388; Chem.Abstr.; vol. 71; nb. 61335a; (1969), View in Reaxys

Reaxys ID 4063016 View in Reaxys

47/172 CAS Registry Number: 52020-73-2 Chemical Name: Nonandisaeure, Einschluss mit Perhydrotriphenylen Linear Structure Formula: C18H30*C9H16O4 Molecular Formula: C9H16O4*C18H30 Molecular Weight: 434.66 Type of Substance: isocyclic

OH O

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InChI Key: ZNDBFRCHSDCGIH-UHFFFAOYSA-N Note: Melting Point (1) 1 of 1

Melting Point [°C]

159 - 161

Froemming; Oppermann; Archiv der Pharmazie (Weinheim, Germany); vol. 307; (1974); p. 18,19, View in Reaxys

Reaxys ID 4072674 View in Reaxys

48/172 CAS Registry Number: 95813-85-7 Linear Structure Formula: C10H16N2*C9H16O4 Molecular Formula: C9H16O4*C10H16N2 Molecular Weight: 352.474 Type of Substance: isocyclic InChI Key: GBMSQAQPBNMUAY-UHFFFAOYSA-N Note:

OH O

O NH 2

NH 2

Substance Label (1) Label References Azelainsaeure, Salz mit Diamin (IX)

Patent; Pittsburgh Plate Glass Co.; US3024281; (1962); Chem.Abstr.; vol. 57; nb. 9739e; (1962), View in Reaxys

Melting Point (1) 1 of 1

Melting Point [°C]

165 - 170

Patent; Pittsburgh Plate Glass Co.; US3024281; (1962); Chem.Abstr.; vol. 57; nb. 9739e; (1962), View in Reaxys

Reaxys ID 4074857 View in Reaxys

49/172

Linear Structure Formula: C10H14N2*C9H16O4 Molecular Formula: C9H16O4*C10H14N2 Molecular Weight: 350.458 Type of Substance: heterocyclic InChI Key: KNSVNGDCYOGIQH-UHFFFAOYSA-N Note:

OH O

N H

Substance Label (1) Label References Salz d. Komponenten

Duff et al.; Journal of Chemical Education; vol. 46; (1969); p. 388; Chem.Abstr.; vol. 71; nb. 61335a; (1969), View in Reaxys

Reaxys ID 4167378 View in Reaxys

50/172 CAS Registry Number: 19083-39-7 Linear Structure Formula: C9H16O4*C6H14N2 Molecular Formula: C6H14N2*C9H16O4 Molecular Weight: 302.414 Type of Substance: isocyclic InChI Key: AHUOBNGOFNSLGC-UHFFFAOYSA-N Note:

OH H 2N O

NH 2

Substance Label (1) Label References Aza

Kalmykova et al.; Polymer Science U.S.S.R; vol. 9; (1967); p. 2872,2874; ; p. 2539, View in Reaxys

Derivative (1)

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Comment (Deriva- References tive) F: 259grad-261grad

Kalmykova et al.; Polymer Science U.S.S.R; vol. 9; (1967); p. 2872,2874; ; p. 2539, View in Reaxys

Further Information (1) Description (Fur- References ther Information) Further information

Kalmykova et al.; Polymer Science U.S.S.R; vol. 9; (1967); p. 2872,2874; ; p. 2539, View in Reaxys

Reaxys ID 4167379 View in Reaxys

51/172 CAS Registry Number: 19083-39-7 Linear Structure Formula: C9H16O4*C6H14N2 Molecular Formula: C6H14N2*C9H16O4 Molecular Weight: 302.414 Type of Substance: isocyclic InChI Key: AHUOBNGOFNSLGC-UGVMAUAESA-N Note:

OH H 2N O

T-4

NH 2

Substance Label (1) Label References Az-t

Kalmykova et al.; Polymer Science U.S.S.R; vol. 9; (1967); p. 2872,2874; ; p. 2539, View in Reaxys

Derivative (1) Comment (Deriva- References tive) F: 248grad-250grad

Kalmykova et al.; Polymer Science U.S.S.R; vol. 9; (1967); p. 2872,2874; ; p. 2539, View in Reaxys

Further Information (1) Description (Fur- References ther Information) Further information

Kalmykova et al.; Polymer Science U.S.S.R; vol. 9; (1967); p. 2872,2874; ; p. 2539, View in Reaxys

Reaxys ID 4226164 View in Reaxys

52/172 CAS Registry Number: 129577-60-2 Linear Structure Formula: 2C22H19NO3*C9H16O4 Molecular Formula: C9H16O4*2C22H19NO3 Molecular Weight: 879.019 Type of Substance: heterocyclic InChI Key: MOUHYFUQKWEJSJ-BJILWQEISA-N Note:

O O HO

OH O

2 O

O E N

Transition Point(s) of Liquid Modification(s) (3) Temperature Change of Modifi- References (Transition cation Point(s) of Liquid Modification(s)) [°C] 138

From crystalline to Kato, Takashi; Fujishima, Akira; Frechet, Jean M. J.; Chemistry Letters; nb. 6; (1990); smectic p. 919 - 922, View in Reaxys

179

From smectic to nematic

Kato, Takashi; Fujishima, Akira; Frechet, Jean M. J.; Chemistry Letters; nb. 6; (1990); p. 919 - 922, View in Reaxys

218

From nematic to isotropic

Kato, Takashi; Fujishima, Akira; Frechet, Jean M. J.; Chemistry Letters; nb. 6; (1990); p. 919 - 922, View in Reaxys

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Reaxys ID 4345578 View in Reaxys

O–

53/172 CAS Registry Number: 133828-46-3 Linear Structure Formula: 2C20H44N(1+)*C9H14O4 (2-) Molecular Formula: C9H14O4*2C20H44N Molecular Weight: 783.36 Type of Substance: acyclic InChI Key: XWBFHFISPVTBIX-UHFFFAOYSA-L Note:

O– 2

N+

Melting Point (1) 1 of 1

Melting Point [°C]

18.4

Comment (Melting Point) Crystallization with H2O Nakayama, Haruo; Nakamura, Kayoko; Haga, Yukio; Sugiura, Yoji; Bulletin of the Chemical Society of Japan; vol. 64; nb. 2; (1991); p. 358 - 365, View in Reaxys Liquid/Solid Systems (MCS) (1) 1 of 1

Description (Liquid/Solid Liquid/solid phase diagram Systems (MCS)) Partner (Liquid/Solid Systems (MCS))

H2O

Nakayama, Haruo; Nakamura, Kayoko; Haga, Yukio; Sugiura, Yoji; Bulletin of the Chemical Society of Japan; vol. 64; nb. 2; (1991); p. 358 - 365, View in Reaxys

Reaxys ID 4932742 View in Reaxys

54/172

H N 3 HO O

OH O

2 O

N O

H H O

Chemical Name: brucine; salt of/the/ nonanedioic acid; Brucin; Salz der Nonandisaeure Linear Structure Formula: 2C23H26N2O4*C9H16O4*3H2O Molecular Formula: C9H16O4*2C23H26N2O4*3H2O Molecular Weight: 1031.21 Type of Substance: heterocyclic InChI Key: ZBMWBXCXXHOZRN-FIMIILAWSA-N Note:

Melting Point (1) 1 of 1

Melting Point [°C]

Hilditch; Journal of the Chemical Society; vol. 95; (1909); p. 1580, View in Reaxys Crystal Property Description (1) Colour & Other References Properties Prismen

Hilditch; Journal of the Chemical Society; vol. 95; (1909); p. 1580, View in Reaxys

Optical Rotatory Power (1) 1 of 1

Type (Optical Rotatory Power)

[alpha]

Concentration (Optical Rotatory Power)

c=5

Solvent (Optical Rotatory Power)

CHCl3

Optical Rotatory Power [deg]

-45.2

Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]

Hilditch; Journal of the Chemical Society; vol. 95; (1909); p. 1580, View in Reaxys

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Reaxys ID 5019481 View in Reaxys

55/172

O–

CAS Registry Number: 78466-42-9 Linear Structure Formula: C9H13O4 (2-) Molecular Formula: C9H13O4 Molecular Weight: 185.2 Type of Substance: acyclic InChI Key: FNTOQAJEDHMYFC-UHFFFAOYSA-L Note:

O– H C

ESR Spectroscopy (2) 1 of 2

Description (ESR Spectroscopy)

ESR-hyperfine coupling constants

Solvents (ESR Spectroscopy)

H2O

Comment (ESR Spectro- 1H. scopy) Hewgill, F. Richmond; Proudfoot, Geoffrey M.; Australian Journal of Chemistry; vol. 34; nb. 2; (1981); p. 335 - 342, View in Reaxys 2 of 2

Description (ESR Spectroscopy)

g-factor

Hewgill, F. Richmond; Proudfoot, Geoffrey M.; Australian Journal of Chemistry; vol. 34; nb. 2; (1981); p. 335 - 342, View in Reaxys

Reaxys ID 5020015 View in Reaxys

56/172

O–

CAS Registry Number: 78466-39-4 Linear Structure Formula: C9H13O4 (2-) Molecular Formula: C9H13O4 Molecular Weight: 185.2 Type of Substance: acyclic InChI Key: ZYWFSAPSCFXQKE-UHFFFAOYSA-L Note:

O–

C H

ESR Spectroscopy (2) 1 of 2

Description (ESR Spectroscopy)

ESR-hyperfine coupling constants

Solvents (ESR Spectroscopy)

H2O

Comment (ESR Spectro- 1H. scopy) Hewgill, F. Richmond; Proudfoot, Geoffrey M.; Australian Journal of Chemistry; vol. 34; nb. 2; (1981); p. 335 - 342, View in Reaxys 2 of 2

Description (ESR Spectroscopy)

g-factor

Hewgill, F. Richmond; Proudfoot, Geoffrey M.; Australian Journal of Chemistry; vol. 34; nb. 2; (1981); p. 335 - 342, View in Reaxys

Reaxys ID 5020148 View in Reaxys

57/172

O–

CAS Registry Number: 78466-40-7 Linear Structure Formula: C9H13O4 (2-) Molecular Formula: C9H13O4 Molecular Weight: 185.2 Type of Substance: acyclic InChI Key: JJKHLIPCGASRTD-UHFFFAOYSA-L

O– H C

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Note: ESR Spectroscopy (2) 1 of 2

Description (ESR Spectroscopy)

ESR-hyperfine coupling constants

Solvents (ESR Spectroscopy)

H2O

Comment (ESR Spectro- 1H. scopy) Hewgill, F. Richmond; Proudfoot, Geoffrey M.; Australian Journal of Chemistry; vol. 34; nb. 2; (1981); p. 335 - 342, View in Reaxys 2 of 2

Description (ESR Spectroscopy)

g-factor

Hewgill, F. Richmond; Proudfoot, Geoffrey M.; Australian Journal of Chemistry; vol. 34; nb. 2; (1981); p. 335 - 342, View in Reaxys

Reaxys ID 5020208 View in Reaxys

O–

58/172 CAS Registry Number: 78466-41-8 Linear Structure Formula: C9H13O4 (2-) Molecular Formula: C9H13O4 Molecular Weight: 185.2 Type of Substance: acyclic InChI Key: VNZIJYHCPOBELA-UHFFFAOYSA-L Note:

O–

C H

ESR Spectroscopy (2) 1 of 2

Description (ESR Spectroscopy)

ESR-hyperfine coupling constants

Solvents (ESR Spectroscopy)

H2O

Comment (ESR Spectro- 1H. scopy) Hewgill, F. Richmond; Proudfoot, Geoffrey M.; Australian Journal of Chemistry; vol. 34; nb. 2; (1981); p. 335 - 342, View in Reaxys 2 of 2

Description (ESR Spectroscopy)

g-factor

Hewgill, F. Richmond; Proudfoot, Geoffrey M.; Australian Journal of Chemistry; vol. 34; nb. 2; (1981); p. 335 - 342, View in Reaxys

Reaxys ID 5224092 View in Reaxys

59/172 CAS Registry Number: 78801-71-5 Linear Structure Formula: C19H26N2O(2+)*C9H14O4 (2-) Molecular Formula: C9H14O4*C19H26N2O Molecular Weight: 484.636 Type of Substance: isocyclic InChI Key: JOMGSQOUUAVBCV-UHFFFAOYSA-L Note:

O O– O

O–

N+

Substance Label (1) Label References 5

Breslow, Ronald; Rajagopalan, Raghavan; Schwarz, Joshua; Journal of the American Chemical Society; vol. 103; nb. 10; (1981); p. 2905 - 2907, View in Reaxys

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Reaxys ID 5373736 View in Reaxys

60/172 CAS Registry Number: 142178-96-9 Chemical Name: tetramethylammonium diazelate Linear Structure Formula: C9H16O4*C9H15O4 (1-)*C4H12N(1+) Molecular Formula: C4H12N*C9H15O4*C9H16O4 Molecular Weight: 449.585 Type of Substance: acyclic InChI Key: BPUQFUBEKVAVTF-UHFFFAOYSA-M Note:

OH N+ O

O O–

NMR Spectroscopy (2) 1 of 2

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- solid scopy) Merwin, Lawrence H.; Ross, Sidney D.; Magnetic Resonance in Chemistry; vol. 30; nb. 5; (1992); p. 440 - 448, View in Reaxys 2 of 2

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- solid scopy) Merwin, Lawrence H.; Ross, Sidney D.; Magnetic Resonance in Chemistry; vol. 30; nb. 5; (1992); p. 440 - 448, View in Reaxys

Reaxys ID 5401614 View in Reaxys

61/172 CAS Registry Number: 37691-55-7 Chemical Name: 4-amino-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide; nonanedioate (2:1); sulphaethylthiadiazole; nonanedioate (2:1); sulfaethylthiodiazole; nonanedioate (2:1); sulfaethiodole; nonanedioate (2:1); sulphaethidole; nonanedioate (2:1); sulfaethidole; nonanedioate (2:1) Linear Structure Formula: 2C10H12N4O2S2*C9H16O4 Molecular Formula: C9H16O4*2C10H12N4O2S2 Molecular Weight: 756.949 Type of Substance: heterocyclic InChI Key: KYXCTVPKMMCLIY-UHFFFAOYSA-N Note:

NH 2 O HO

2 N O

Melting Point (1) 1 of 1

Melting Point [°C]

169

Rudenko,N.Z.; Mitrofanova,T.A.; J. Gen. Chem. USSR (Engl. Transl.); vol. 42; nb. 7; (1972); p. 1434 - 1438,1425 1429, View in Reaxys

Reaxys ID 5662250 View in Reaxys

62/172 CAS Registry Number: 17356-30-8 Chemical Name: monosodium azelate; sodium hydrogen azelate Linear Structure Formula: C9H15O4 (1-)*Na(1+) Molecular Formula: C9H15O4*Na Molecular Weight: 210.205

HO O

Na +

O–

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Type of Substance: acyclic InChI Key: KITSBOHZGUHIOU-UHFFFAOYSA-M Note:

Reaxys ID 5666077 View in Reaxys

O–

63/172

2 Li+

O–

CAS Registry Number: 38900-29-7; 57997-54-3 Linear Structure Formula: C9H14O4 (2-)*2Li(1+) Molecular Formula: C9H14O4*2Li Molecular Weight: 200.09 Type of Substance: acyclic InChI Key: PIXVSSUJBHIHGF-UHFFFAOYSA-L Note:

Substance Label (1) Label References Table1, run15,acid,M=Li

Fujisawa, Tamotsu; Iida, Sachio; Uehara, Hiroshi; Sato, Toshio; Chemistry Letters; (1983); p. 1267 - 1270, View in Reaxys

Reaxys ID 6103842 View in Reaxys

OH O

64/172 CAS Registry Number: 96580-03-9 Chemical Name: nonanedioic acid ; S-benzylthiuronium-salt; Nonandisaeure; S-Benzylthiouronium-Salz Linear Structure Formula: C9H16O4*C8H10N2S Molecular Formula: C8H10N2S*C9H16O4 Molecular Weight: 354.47 Type of Substance: isocyclic InChI Key: WMIGPCZMYNETBL-UHFFFAOYSA-N Note:

HN S

O H 2N

Melting Point (1) 1 of 1

Melting Point [°C]

163 - 164

Veibel; Ottung; Bulletin de la Societe Chimique de France; vol. <5> 6; (1939); p. 1434, View in Reaxys

Reaxys ID 6267445 View in Reaxys

OH O

65/172 Chemical Name: 1,2-O-Dilauryl-rac-glycero-3-azelaic acid monoester Linear Structure Formula: C9H16O4*C27H56O3 Molecular Formula: C9H16O4*C27H56O3 Molecular Weight: 616.963 InChI Key: SWFDJZNFRBVBCU-UHFFFAOYSA-N Note:

O O

IR Spectroscopy (1) 1 of 1

Solvent (IR Spectroscopy)

film

Original Text (IR Spectroscopy)

IR (cm-1): (film) 1738, 1710

Signals [cm-1]

1738; 1710

Patent; Boehringer Mannheim GmbH; US4847376; (1989); (A1) English, View in Reaxys

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Reaxys ID 6470185 View in Reaxys

66/172 H N

HN OH

H NH

HN O

O NH

N H

Linear Structure Formula: C32H70N6*C9H16O4*4ClH Molecular Formula: C9H16O4*C32H70N6*4ClH Molecular Weight: 873.015 Type of Substance: heterocyclic InChI Key: ISWBQCCRVFRNRT-UHFFFAOYSA-N Note:

Substance Label (1) Label References 2*6H(+) azelate

Hosseini, Mir Wais; Lehn, Jean-Marie; Helvetica Chimica Acta; vol. 69; (1986); p. 587 - 603, View in Reaxys

Electrochemical Behaviour (1) Description (Elec- References trochemical Behaviour) Stability constant

Hosseini, Mir Wais; Lehn, Jean-Marie; Helvetica Chimica Acta; vol. 69; (1986); p. 587 - 603, View in Reaxys

Reaxys ID 6706454 View in Reaxys

67/172

O–

Linear Structure Formula: C9H14O4 (2-)*2K(1+) Molecular Formula: C9H14O4*2K Molecular Weight: 264.404 Type of Substance: acyclic InChI Key: KYUUIPCDSNGPAU-UHFFFAOYSA-L Note:

K+

Reaxys ID 8184865 View in Reaxys

68/172 Linear Structure Formula: C37H67NO13*C9H16O4 Molecular Formula: C9H16O4*C37H67NO13 Molecular Weight: 922.162 Type of Substance: heterocyclic InChI Key: UJLMLRHYEXBHIE-YZPBMOCRSA-N Note:

OH HO

O O

O O O

Substance Label (1) Label References ERY azelainate

Matschiner; Neubert; Wohlrab; Skin Pharmacology; vol. 8; nb. 6; (1995); p. 319 - 325, View in Reaxys

Reaxys ID 9252609 View in Reaxys

69/172 Chemical Name: poly(decamethylene azelate), degree of polymerization > 200, Mn=2.69E4, Mw=5.83E4; monomers: azelaic acid; 1,10-decanediol Type of Substance: polymer (monomers given) Composition: Comp. Name: nonanedioic acid; 1,10-dihydroxydecane Note:

No Structure

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Reaxys ID 9819573 View in Reaxys

70/172

OH O

Linear Structure Formula: C6H12N2*C9H16O4 Molecular Formula: C6H12N2*C9H16O4 Molecular Weight: 300.398 Type of Substance: heterocyclic InChI Key: JEDRSDBIEPEHSQ-UHFFFAOYSA-N Note:

Substance Label (1) Label References 1*C9

Crystal Phase (1) Description (Crys- Temperature tal Phase) (Crystal Phase) [°C] Crystal structure determination

-40.16

References

Crystal System (1) Crystal System References monoclinic

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disMethod of detertances and angles mination: single crystal X-ray diffraction Space Group (1) Space Group 14

References Braga, Dario; Maini, Lucia; De Sanctis, Giorgiana; Rubini, Katia; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Chemistry - A European Journal; vol. 9; nb. 22; (2003); p. 5538 - 5548, View in Reaxys

NMR Spectroscopy (2) 1 of 2

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- solid scopy) Frequency (NMR Spectroscopy) [MHz]

67.8

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- solid scopy) Frequency (NMR Spectroscopy) [MHz]

67.94

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Reaxys ID 9839917 View in Reaxys

71/172 Chemical Name: poly(ester-amide)-5, Mn(100/(yE-3))= 2500; Monomer(s):5-hydroxy-2-amino benzothiazole, dibasic acid chloride Type of Substance: polymer (monomers given) Composition: Comp. Name: 5-hydroxy-1,3-benzothiazol-2amine; nonanedioic acid Note:

No Structure

Substance Label (1) Label References PEA-5

Patel; Desai; Heterocyclic Communications; vol. 10; nb. 2-3; (2004); p. 203 - 208, View in Reaxys

Electrical Data (1) 1 of 1

Description (Electrical Data)

Electrical conductivity

Patel; Desai; Heterocyclic Communications; vol. 10; nb. 2-3; (2004); p. 203 - 208, View in Reaxys

Reaxys ID 11027971 View in Reaxys

72/172 Chemical Name: poly(glycerol-azelaic acid), Mn = 2316 Da, polydispersity index 1.30, degree of polymerization 4.9; monomer(s): azelaic acid; glycerol Type of Substance: polymer (monomers given) Composition: Comp. Name: nonanedioic acid; glycerol Note:

No Structure

NMR Spectroscopy (3) 1 of 3

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

200

Wyatt, Victor T.; Nunez, Alberto; Foglia, Thomas A.; Marmer, William N.; JAOCS, Journal of the American Oil Chemists' Society; vol. 83; nb. 12; (2006); p. 1033 - 1039, View in Reaxys 2 of 3

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

Wyatt, Victor T.; Nunez, Alberto; Foglia, Thomas A.; Marmer, William N.; JAOCS, Journal of the American Oil Chemists' Society; vol. 83; nb. 12; (2006); p. 1033 - 1039, View in Reaxys 3 of 3

Description (NMR Spec- Spectrum troscopy)

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Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Frequency (NMR Spectroscopy) [MHz]

200

Wyatt, Victor T.; Nunez, Alberto; Foglia, Thomas A.; Marmer, William N.; JAOCS, Journal of the American Oil Chemists' Society; vol. 83; nb. 12; (2006); p. 1033 - 1039, View in Reaxys

Reaxys ID 11354410 View in Reaxys

73/172 Chemical Name: azelaic acid; cationic surface-active Quaternium/15; cetyl ester; cis retinic acid; cogic acid; glycerine; glycolic acid; ionene polymer; laurylsulfate sodium; methyl paraben; propyl paraben; vitamin E acetate; water; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: vitamin E; nonanedioic acid; glycerol; methyl 4-hydroxy-benzoate; 4-hydroxybenzoic acid propyl ester; sodium lauryl sulfate; water; alpha-hydroxyethanoic acid Composition: Comp. Conc.: 0.5 weight percent; 20 weight percent; 10 weight percent; 0.2 weight percent; 0.02 weight percent; 2.5 weight percent; 2.1 weight percent Note:

No Structure

Use (23) Use Pattern

References

wrinkles

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

skin spots

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

keratosis actinic

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

wounds

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

sores

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

diabetic cutaneous sores

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

acute and chronic Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys lesions of skin lesions of oral mu- Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys cous skin tumours

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

psoriasis

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

lentigo senilis

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

lentigo solaris

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

restoring of cutaneous functionality and homeostasis

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

restoring and Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys stimulation of normal cellular hydration restoring of regular cutaneous elasticity and of functions relevant to collagen action

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

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bedsores

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

cutaneous and mucous reepithelialization processes

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

acne

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

burn sores

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

surgical accidents Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys in intestinal surgery cicatricial and Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys acute consequences of histic infarct aphtas

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

herpes

Patent; MED CARE S.R.L.; WO2005/63195; (2005); (A2) English, View in Reaxys

Reaxys ID 11355230 View in Reaxys

74/172 Chemical Name: aluminium chlorohydrate; azelaic acid; BHT; conjugated linoleic acid; ethylenediaminetetraacetic acid disodium; fragrance; salicylic acid; steareth-2; steareth-20; sunflower seed oil; water; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: water; aluminium chlorohydrate; sunflower seed oil Cropuretrade;; steareth-2 Volpo S2trade;; steareth-20 Brij 78trade;; nonanedioic acid; Clarinol A80trade;; salicylic acid; 2,6-di-tert-butyl-4-methyl-phenol Composition: Comp. Conc.: 15 weight percent; 4 weight percent; 1.92 weight percent; 1.28 weight percent; 0.6 weight percent; 0.6 weight percent; 0.3 weight percent; 0.05 weight percent Note:

No Structure

Use (1) Use Pattern

References

liquid underarm Patent; Conopco Inc, d/b/a UNILEVER; US2006/115441; (2006); (A1) English, View in Reaxys cosmetic composition for inhibiting skin darkening

Reaxys ID 11355255 View in Reaxys

75/172 Chemical Name: aluminium chlorohydrate; azelaic acid; BHT; ethylenediaminetetraacetic acid disodium; fragrance; steareth-2; steareth-20; sunflower seed oil; water; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: water; aluminium chlorohydrate; sunflower seed oil Cropuretrade;; steareth-2 Volpo S2trade;; steareth-20 Brij 78trade;; nonanedioic acid; 2,6-di-tert-butyl-4methyl-phenol Composition: Comp. Conc.: 15 weight percent; 4 weight percent; 1.92 weight percent; 1.28 weight percent; 0.5 weight percent; 0.05 weight percent Note:

No Structure

Use (1) Use Pattern liquid underarm cosmetic compo-

References Patent; Conopco Inc, d/b/a UNILEVER; US2006/115441; (2006); (A1) English, View in Reaxys

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sition for inhibiting skin darkening

Reaxys ID 11355263 View in Reaxys

76/172 Chemical Name: aluminium chlorohydrate; azelaic acid; BHT; ethylenediaminetetraacetic acid disodium; fragrance; salicylic acid; steareth-2; steareth-20; sunflower seed oil; water; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: water; aluminium chlorohydrate; sunflower seed oil Cropuretrade;; steareth-2 Volpo S2trade;; steareth-20 Brij 78trade;; nonanedioic acid; salicylic acid; 2,6-ditert-butyl-4-methyl-phenol Composition: Comp. Conc.: 15 weight percent; 4 weight percent; 1.92 weight percent; 1.28 weight percent; 1 weight percent; 0.5 weight percent; 0.05 weight percent Note:

No Structure

Use (1) Use Pattern

References

liquid underarm Patent; Conopco Inc, d/b/a UNILEVER; US2006/115441; (2006); (A1) English, View in Reaxys cosmetic composition for inhibiting skin darkening

Reaxys ID 11355283 View in Reaxys

77/172 Chemical Name: aluminium chlorohydrate; azelaic acid; BHT; castor oil; conjugated linoleic acid; fragrance; steareth-2; steareth-20; sunflower seed oil; water; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: water; aluminium chlorohydrate; sunflower seed oil Cropuretrade;; Castor oil; steareth-2 Volpo S2trade;; steareth-20 Brij 78trade;; nonanedioic acid; Clarinol A80trade;; 2,6-di-tert-butyl-4-methyl-phenol Composition: Comp. Conc.: 15 weight percent; 2 weight percent; 2 weight percent; 1.92 weight percent; 1.28 weight percent; 0.75 weight percent; 0.75 weight percent; 0.05 weight percent Note:

No Structure

Use (1) Use Pattern

References

liquid underarm Patent; Conopco Inc, d/b/a UNILEVER; US2006/115441; (2006); (A1) English, View in Reaxys cosmetic composition for inhibiting skin darkening

Reaxys ID 11355333 View in Reaxys

78/172 Chemical Name: aluminium chlorohydrate; azelaic acid; BHT; fragrance; steareth-2; steareth-20; sunflower seed oil; water; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: water; aluminium chlorohydrate; sunflower seed oil Cropuretrade;; steareth-2 Volpo S2trade;; steareth-20 Brij 78trade;; nonanedioic acid; 2,6-di-tert-butyl-4methyl-phenol

No Structure

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Composition: Comp. Conc.: 15 weight percent; 4 weight percent; 1.92 weight percent; 1.28 weight percent; 1 weight percent; 0.05 weight percent Note: Use (1) Use Pattern

References

liquid underarm Patent; Conopco Inc, d/b/a UNILEVER; US2006/115441; (2006); (A1) English, View in Reaxys cosmetic composition for inhibiting skin darkening

Reaxys ID 11357269 View in Reaxys

79/172 Type of Substance: mixture (composition completely given) Composition: Comp. Name: corn starch; nicotinic acid amide; salicylate; pyridoxine Azelate; Tetrahydrocurcumin; [3H]-Carnosine Composition: Comp. Conc.: 96.9 weight percent; 2.0 weight percent; 0.5 weight percent; 0.1 weight percent; 0.5 weight percent Note:

No Structure

Use (2) Use Pattern

References

Anti-acne

Patent; GUPTA, SHYAM K.; US2004/156873; (2004); (A1) English, View in Reaxys

Facial delivery system

Patent; GUPTA, SHYAM K.; US2004/156873; (2004); (A1) English, View in Reaxys

Reaxys ID 11360492 View in Reaxys

80/172 Chemical Name: 3-amino-1-propanol; aluminium zirconium chlorohydrate glycine complex; azelaic acid; dibenzoyl sorbitol; dipropylene glycol; isostearyl alcohol; propylene glycol; sunflower oil; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: Propylene glycol; 2,4-dimethyl-3oxapentandiol-1,5; sunflower seed oil Cropuretrade;; nonanedioic acid; 3-amino-propan-1-ol Composition: Comp. Conc.: 47.5 weight percent; 11.5 weight percent; 5.0 weight percent; 1.0 weight percent; 0.5 weight percent Note:

No Structure

Use (1) Use Pattern

References

gel underarm cos- Patent; Conopco Inc, d/b/a UNILEVER; US2006/115441; (2006); (A1) English, View in Reaxys metic composition for inhibiting skin darkening

Reaxys ID 11360535 View in Reaxys

81/172 Chemical Name: Boswellia serrate extract; niacinamide azelate; niacinamide lipoate; preservative; propylene glycol; rutin; water; mixture of Type of Substance: mixture (composition partially given)

No Structure

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Composition: Comp. Name: water; Propylene glycol; niacinamide Azelate; Boswellia Serrata; extract of; rutinic acid; niacinamide lipoate Composition: Comp. Conc.: 43.0 weight percent; 34.0 weight percent; 10.0 weight percent; 2.0 weight percent; 0.5 weight percent; 10 weight percent Note: Use (1) Use Pattern

References

Anti-acne

Patent; GUPTA, SHYAM K.; US2004/156873; (2004); (A1) English, View in Reaxys

Reaxys ID 11361375 View in Reaxys

82/172 Chemical Name: activated aluminium chlorohydrate; azelaic acid; C12-15 alkyl benzoate; castor wax; cyclomethicone; fragrance; polyethylene powder; steareth 100; stearyl alcohol; sunflower seed oil; talc; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: cyclomethicone DC245trade;; Finsolv TNtrade;; 1-octadecanol; polyethylene Acumist B18trade;; castor wax MP80trade;; talcum; sunflower seed oil Cropuretrade;; nonanedioic acid; steareth 100 Brij 700trade; Composition: Comp. Conc.: 6.0 weight percent; 14.5 weight percent; 3.0 weight percent; 2.0 weight percent; 2.0 weight percent; 5.0 weight percent; 1.0 weight percent; 0.7 weight percent Note:

No Structure

Use (1) Use Pattern

References

stick underarm Patent; Conopco Inc, d/b/a UNILEVER; US2006/115441; (2006); (A1) English, View in Reaxys cosmetic composition for inhibiting skin darkening

Reaxys ID 11361533 View in Reaxys

83/172 Chemical Name: activated aluminium chlorohydrate; azelaic acid; cyclomethicone; fragrance; hydrophobic clay; octyldodecanol; PPG-14 butyl ether; silicone gum; sunflower seed oil; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: cyclomethicone DC245trade;; PPG-14 butyl ether Fluid APtrade;; hydrophobic clay Bentone 38trade;; sunflower seed oil Cropuretrade;; 2-octyldodecyl alcohol; nonanedioic acid; silicone gum DC1501trade; Composition: Comp. Conc.: 19.8 weight percent; 22.8 weight percent; 4.2 weight percent; 5.0 weight percent; 1.0 weight percent; 1.0 weight percent; 0.8 weight percent Note:

No Structure

Use (1) Use Pattern

References

aerosol underarm Patent; Conopco Inc, d/b/a UNILEVER; US2006/115441; (2006); (A1) English, View in Reaxys cosmetic composition for inhibiting skin darkening

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Reaxys ID 11364959 View in Reaxys

84/172 Type of Substance: polymer (monomers given) Composition: Comp. Name: nonanedioic acid; 1,10-dihydroxydecane Composition: Comp. Conc.: 10 mmol; 10 mmol Note:

No Structure

Reaxys ID 11370174 View in Reaxys

85/172 Type of Substance: mixture (composition partially given) Composition: Comp. Name: polypropylene carbonate; nonanedioic acid; dichloromethane Composition: Comp. Conc.: 20 weight percent Note:

No Structure

Pharmacological Data (2) 1 of 2

Comment (Pharmacological Data)

Bioactivities present

Patent; Medpak LLC; US2005/208153; (2005); (A1) English, View in Reaxys 2 of 2

Effect (Pharmacological Data)

acne; effect on

Species or Test-System (Pharmacological Data)

human

Method (Pharmacological Data)

In this example a base solution of polypropylene carbonate having a glass transition temperature (Tg) of 40° C. is dissolved in methylene chloride to provide a solution in which the polyethylene carbonate is present in a concentration of 15percent by weight based upon the solution. Separate samples of the base solution are prepared and various prescription medications are added to the samples. The compositions of the various samples are set forth in Table 2, below. Each of the above samples is then applied to an acne affected area on a patient's skin and allowed to remain there for a period of three hours and is then removed. After removal a reduction of blackheads and whiteheads is observed with all Samples. Similar samples (I through V) are prepared and separately applied to acne affected areas on the skin of patients at intervals varying from twenty-four hours to one week and allowed to remain there for three hour periods over the course of test periods varying from 6 to 8 weeks. In addition to loosening and removing blackheads and whiteheads and decreasing papules, Samples I through V are additionally effective to remove oil, provide an antimicrobial effect (particularly concerning p. acnes), control lesions, control abnormal shedding of skin cells, reduce inflammation, and open clogged pores.

Results

after administration of test compound loosening and removing blackheads and whiteheads, decreasing papules were observed; test compound is additionally effective to remove oil, provide an antimicrobial effect (particularly concerning propionibacterium acnes), control lesions, control abnormal shedding of skin cells, reduce inflammation, open clogged pores

Location

Page/Page column 4

Patent; Medpak LLC; US2005/208153; (2005); (A1) English, View in Reaxys

Reaxys ID 11382786 View in Reaxys

86/172 Type of Substance: mixture (composition partially given) Composition: Comp. Name: nonanedioic acid; all-trans-vitamin A acid Note:

No Structure

Pharmacological Data (4) 1 of 4

Comment (Pharmacological Data)

Bioactivities present

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys

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2 of 4

Effect (Pharmacological Data)

croton oil-induced edema; effect on

Species or Test-System (Pharmacological Data)

mouse

Method (Pharmacological Data)

Results

application of title mixture (azelaic acid 10percent-20percent, tretinoin 0.05percent) showed a considerable reduction of the edema by 34-39percent; synergistic effect was observed; figure is given

Location

Page/Page column 8-12; 1/3

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys 3 of 4

Effect (Pharmacological Data)

croton oil-induced elastase activity; inhibition of

Species or Test-System (Pharmacological Data)

mouse

Method (Pharmacological Data)

Results

title mixture (azelaic acid 10percent-20percent, tretinoin 0.05percent) significantly reduced ear inflammation measured on the elastase concentration in the ear homogenate thus inhibiting elastase; synergistic effect was observed; figure is given

Location

Page/Page column 8-12; 2/3

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys 4 of 4

Effect (Pharmacological Data)

croton oil-induced myelo-peroxidase activity; inhibition of

Species or Test-System (Pharmacological Data)

mouse

Method (Pharmacological Data)

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Results

administration of title mixture (azelaic acid 10percent-20percent, tretinoin 0.05percent) significantly inhibited croton oil-induced myelo-peroxidase activity; synergistic effect was observed; figure is given

Location

Page/Page column 8-12; 3/3

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys Use (5) Use Pattern

References

Rosacea

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys

Inflammatory skin diseases

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys

psoriasis

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys

atopic dermatitis

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys

common acne

Patent; INTENDIS GMBH; WO2007/82780; (2007); (A1) English, View in Reaxys

Reaxys ID 11384728 View in Reaxys

87/172 Type of Substance: polymer (monomers given) Composition: Comp. Name: 2-[2-(2-aminoethoxy)ethoxy]-ethylamine; nonanedioic acid Note:

No Structure

Substance Label (1) Label References Comparative Example C

Patent; Pagilagan, Rolando U.; US2003/235551; (2003); (A1) English, View in Reaxys

Reaxys ID 11396513 View in Reaxys

88/172 Chemical Name: Al-Zr pentachloro-hydrate; amphoteric potato starch; azelaic acid; ceteareth 20; cyclomethicone; Emulgade SE; glycerol; glyceryl stearate; octyldodecanol; Polawax GP200; sunflower seed oil; water; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: water; cyclomethicone DC245trade;; glycerol; sunflower seed oil Cropuretrade;; nonanedioic acid; Emulgade SE; amphoteric potato starch; Polawax GP200trade;; ceteareth 20; 2-octyldodecyl alcohol Composition: Comp. Conc.: 4.0 weight percent; 2.0 weight percent; 5.0 weight percent; 1.0 weight percent; 2.0 weight percent; 1.0 weight percent; 0.65 weight percent; 0.4 weight percent; 0.5 weight percent Note:

No Structure

Use (1) Use Pattern

References

pump spray unPatent; Conopco Inc, d/b/a UNILEVER; US2006/115441; (2006); (A1) English, View in Reaxys derarm cosmetic composition for inhibiting skin darkening

Reaxys ID 11400351 View in Reaxys

89/172

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Type of Substance: mixture (composition partially given) Composition: Comp. Name: nonanedioic acid; beeswax; Jojoba oil; Brevoxyl-8 Note:

No Structure

Pharmacological Data (2) 1 of 2

Comment (Pharmacological Data)

Bioactivities present

Patent; Allergan, Inc.; US2005/19422; (2005); (A1) English, View in Reaxys 2 of 2

Effect (Pharmacological Data)

antiacne

Species or Test-System (Pharmacological Data)

human

Route of Application

epicutaneous

Method (Pharmacological Data)

The composition of Example 1 is applied to the face of a patient with acne 1 to 4 times daily. Open and closed comedones are markedly reduced within two to four weeks.

Results

open and closed comedones are markedly reduced within two to four weeks

Location

Page 5

Patent; Allergan, Inc.; US2005/19422; (2005); (A1) English, View in Reaxys Use (1) Use Pattern

References

Acne

Patent; Allergan, Inc.; US2005/19422; (2005); (A1) English, View in Reaxys

Reaxys ID 11943683 View in Reaxys

90/172 Chemical Name: chitosan ascorbate; licorice root extract; niacinamide azelate; oat protein; PEG-620; preservatives; ruscogenins; soybean fibers; tetrahydrocurcumin; water; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: chitosan ascorbate; niacinamide Azelate; PEG-620.0; Tetrahydrocurcumin; licorice root; extract of; water; oat protein Composition: Comp. Conc.: 10.0 weight percent; 2.0 weight percent; 0.1 weight percent; 0.5 weight percent; 56.4 weight percent; 5.0 weight percent Note:

No Structure

Use (1) Use Pattern

References

Anti-acne

Patent; GUPTA, SHYAM K.; US2004/156873; (2004); (A1) English, View in Reaxys

Reaxys ID 15230899 View in Reaxys

OH O

91/172 Chemical Name: 1,2-O-Dioctyl-rac-glycero-3-azelaic acid monoester Linear Structure Formula: C9H16O4*C19H40O3 Molecular Formula: C9H16O4*C19H40O3 Molecular Weight: 504.748 InChI Key: MCNXYFVQSICABI-UHFFFAOYSA-N Note:

O O

Reaxys ID 15322644 View in Reaxys

92/172

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CAS Registry Number: 107701-67-7 Chemical Name: cesium hydrogen azelate Linear Structure Formula: C9H15O4 (1-)*Cs(1+) Molecular Formula: C9H15O4*Cs Molecular Weight: 320.121 InChI Key: IJATVTLAEKZQRH-UHFFFAOYSA-M Note:

O–

Cs + O

Patent-Specific Data (1) Location in Patent References Claim

Patent; Phillips Petroleum Company; US4200586; (1980); (A1) English, View in Reaxys

Reaxys ID 15430962 View in Reaxys

93/172 Chemical Name: 14-O-[(N-((R)-valyl)-piperidine-3(S)-yl)-sulfanylacetyl]-mutilin azelaic acid salt Linear Structure Formula: C9H16O4*C32H52N2O5S Molecular Formula: C9H16O4*C32H52N2O5S Molecular Weight: 765.065 InChI Key: HXYSNSQTOFUUPK-AOJQOVRSSA-N Note:

O S O OH

N O

NH 2

NMR Spectroscopy (1) 1 of 1

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Original Text (NMR Spectroscopy)

1H-NMR

Comment (NMR Spectroscopy)

Signals given

(DMSO-d6, - 1:1 mixture of stable rotamers):6.12 (2xdd, IH, H-19, J=17.1 Hz, J=I Ll Hz), 5.55 (2xd, IH, H-14, J=8.6 Hz), 5.05 (m, 2H, H- 20), 4.5 (b, IH, 11-OH), 3.98 (m, 1.5H, H-2 piperidine), 3.49 (m,1.5H, H-2 piperidine, α-H VaI), 3.42 (d, IH, H-I l, J=6Hz), 3.30 (m, 0.5H, H-2 piperidine), 3.27(m, 2H, H-22), 3.10 (2xm, 2x0.5H, H-2 piperidine), 2.86 (m, 1.5H, H-2 piperidine, CH-S), 2.4, (b,lH, H-4), 2.22 - 2.02 (m, 4H, H-2, 10, 13a), 2,14 (t, 4H, α-H azelate), 1.92-1.98 (m, IH, H-4 piperidine), 1.58-1.72 (m, 4H, β-H VaI, Ia, 8a, H-3 piperidine), 1.42-1.52 (m, 8H, H-6, 7a, H-3 piperidine, H-4 piperidine, β -H azelate), 1.34 (s, 3H, CH3-15), 1.20-1.32 (m, 9H, H-I, 7, 13, γ-H azelate, δ-H azelate), 1.05 (s, 3H, CH3-18), 1.00 (m, IH, H-8), 0.87, 0.75 (2xm, 6H, (CH3)2-Val), 0.80 (d, 3H, CH3-17, J = 6.8 Hz), 0.62 (m, 3H, CH3-16).

Patent; NABRIVA THERAPEUTICS FORSCHUNGS GMBH; WO2007/1; (2007); (A2) English, View in Reaxys Use (6) Use Pattern

References

Acne

Patent; NABRIVA THERAPEUTICS FORSCHUNGS GMBH; WO2007/1; (2007); (A2) English, View in Reaxys

Antibiotic

Patent; NABRIVA THERAPEUTICS FORSCHUNGS GMBH; WO2007/1; (2007); (A2) English, View in Reaxys

Antimicrobial agent

Patent; NABRIVA THERAPEUTICS FORSCHUNGS GMBH; WO2007/1; (2007); (A2) English, View in Reaxys

Tuberculosis

Patent; NABRIVA THERAPEUTICS FORSCHUNGS GMBH; WO2007/1; (2007); (A2) English, View in Reaxys

Helicobacter infections

Patent; NABRIVA THERAPEUTICS FORSCHUNGS GMBH; WO2007/1; (2007); (A2) English, View in Reaxys

Skin inflammation Patent; NABRIVA THERAPEUTICS FORSCHUNGS GMBH; WO2007/1; (2007); (A2) English, View in Reaxys

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Reaxys ID 16045060 View in Reaxys

94/172

OH –O

O–

–

O O

U 4+

H2 C C N H2

O–

O O OH

Chemical Name: U(IV) ethylenediaminetetraacetate azelate complex Linear Structure Formula: U(4+)*((COOCH2) (COOHCH2)NCH2)2(2-)*(H2C)7(COO)2(2-) Molecular Formula: C9H14O4*C10H14N2O8*U Molecular Weight: 714.466 Type of Substance: Coordination compound InChI Key: QKVNVSNNUNNWMO-UHFFFAOYSA-J Note:

UV/VIS Spectroscopy (1) 1 of 1

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

not given

Comment (UV/VIS Spectroscopy)

333 nm - 714 nm

Perfil'ev, V. A.; Poluektov, N. S.; Doklady Chemistry (English Translation); vol. 256; (1981); p. 10 - 12; Doklady Akademii Nauk SSSR; vol. 256; (1981); p. 98 - 101 ; (from Gmelin), View in Reaxys

Reaxys ID 16088236 View in Reaxys

95/172 Chemical Name: ammonium azelenatothallate(III) Linear Structure Formula: NH4 (1+)*Tl(3+)*2O2C(CH2)7CO2 (2-) = NH4Tl(O2C(CH2)7CO2)2 Molecular Formula: 2C9H14O4*H4N*Tl Molecular Weight: 594.837 InChI Key: HNSGOWVLSUNHKE-UHFFFAOYSA-M Note:

O– H

N+ HH

O 2

Tl3+

O–

Pharmacological Data (2) 1 of 2

Comment (Pharmacological Data)

Bioactivities present

Rao, Prasada M. S.; Raju, G. S. Prakasa; Ramana, Karri V.; Sagi, S. R.; Satyanarayana, S.; Visweswaram, D.; Journal of the Indian Chemical Society; vol. 70; (1993); p. 727 - 730, View in Reaxys 2 of 2

Comment (Pharmacological Data)

physiological behaviour discussed

Rao, Prasada M. S.; Raju, G. S. Prakasa; Ramana, Karri V.; Sagi, S. R.; Satyanarayana, S.; Visweswaram, D.; Journal of the Indian Chemical Society; vol. 70; (1993); p. 727 - 730 ; (from Gmelin), View in Reaxys

Reaxys ID 17202145 View in Reaxys

96/172 Chemical Name: yttrium azelate tetrahydrate Linear Structure Formula: 2Y(3+)*3(COO)2(CH2)7(2-)*4H2O=Y2((COO)2(CH2)7)3*4H2O Molecular Formula: 3C9H14O4*4H2O*2Y Molecular Weight: 808.496 Type of Substance: Coordination compound InChI Key: SSCYILHNAKUFBF-UHFFFAOYSA-L Note:

4 H O

O–

O– O

Y3+

Conformation (1) Object of Investi- References gation Conformation

Brzyska, W.; Ozga, W.; Journal of Thermal Analysis; vol. 36; (1990); p. 441 - 454 ; (from Gmelin), View in Reaxys

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Crystal Property Description (1) Colour & Other References Properties white

Brzyska, W.; Ozga, W.; Journal of Thermal Analysis; vol. 36; (1990); p. 441 - 454 ; (from Gmelin), View in Reaxys

Solubility (MCS) (1) 1 of 1

Solubility [g·l-1]

0.0161699

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Brzyska, W.; Ozga, W.; Journal of Thermal Analysis; vol. 36; (1990); p. 441 - 454 ; (from Gmelin), View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

420 cm**-1 - 3350 cm**-1

Brzyska, W.; Ozga, W.; Journal of Thermal Analysis; vol. 36; (1990); p. 441 - 454 ; (from Gmelin), View in Reaxys

Reaxys ID 17493410 View in Reaxys

–O

97/172

O– H 2N O

CAS Registry Number: 273410-63-2 Chemical Name: cadmium(II)azelate*(hydrazine) Linear Structure Formula: Cd(2+)*[OC(O)(CH2)7C(O)O] (2-)*N H =Cd(OCO(CH )7COO)(N H ) 2 4 2 2 4 Molecular Formula: C9H14O4*Cd*H4N2 Molecular Weight: 330.663 Type of Substance: Coordination compound InChI Key: AMQKPYIMYIHEAG-UHFFFAOYSA-L Note:

2+ NHCd 2

Conformation (1) Object of Investi- References gation Conformation

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

Crystal Phase (1) Description (Crys- References tal Phase) Powder X-ray Dif- Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; fraction (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys Crystal Property Description (1) Colour & Other References Properties colourless

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

Magnetic Data (1) Description (Mag- References netic Data) Diamagnetic

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

Solubility (MCS) (1)

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1 of 1

Comment (Solubility (MCS))

insol. in water and in org. solvents (ethanol, acetone, chloroform)

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys Space Group (1) Comment (Space Group)

References

atomic positions available

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling

References

solble in air; insen- Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; sitive to light (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

Reaxys ID 17493411 View in Reaxys

–O

98/172 Chemical Name: cobalt(II)azelate*2(hydrazine) Linear Structure Formula: Co(2+)*[OC(O)(CH2)7C(O)O] (2-)*2N H =Co(OCO(CH )7COO)(N H )2 2 4 2 2 4 Molecular Formula: C9H14O4*Co*2H4N2 Molecular Weight: 309.291 Type of Substance: Coordination compound InChI Key: YTKCMQUYXMSMJC-UHFFFAOYSA-L Note:

O– O

H 2N

2 NH 2 Co 2+

Conformation (1) Object of Investi- References gation Conformation

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

Solubility (MCS) (1) 1 of 1

Comment (Solubility (MCS))

insol. in water and in org. solvents (ethanol, acetone, chloroform)

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys Space Group (1)

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Comment (Space Group)

References

atomic positions available

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys UV/VIS Spectroscopy (1) 1 of 1

Description (UV/VIS Spectroscopy)

Band assignment

Solvent (UV/VIS Spectroscopy)

not given

Comment (UV/VIS Spectroscopy)

200 nm - 800 nm

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling

References

stable in air; insensitive to light

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

Reaxys ID 17499662 View in Reaxys

–O

99/172

O– H 2N O

Chemical Name: nickel(II)azelate*2(hydrazine) Linear Structure Formula: Ni(2+)*[OC(O)(CH2)7C(O)O] (2-)*2N H =Ni(OCO(CH )7COO)(N H )2 2 4 2 2 4 Molecular Formula: C9H14O4*2H4N2*Ni Molecular Weight: 308.988 Type of Substance: Coordination compound InChI Key: UUHJXXWLGADMBL-UHFFFAOYSA-L Note:

2 NH 2 Ni 2+

Conformation (1) Object of Investi- References gation Conformation

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

Solubility (MCS) (1)

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1 of 1

Comment (Solubility (MCS))

insol. in water and in org. solvents (ethanol, acetone, chloroform)

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys Space Group (1) Comment (Space Group)

References

atomic positions available

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys UV/VIS Spectroscopy (1) 1 of 1

Description (UV/VIS Spectroscopy)

Band assignment

Solvent (UV/VIS Spectroscopy)

not given

Comment (UV/VIS Spectroscopy)

200 nm - 800 nm

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling

References

stable in air; insensitive to light

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

Reaxys ID 17499663 View in Reaxys

–O

100/172

O– H 2N O

CAS Registry Number: 273410-62-1 Chemical Name: zinc(II)azelate*(hydrazine) Linear Structure Formula: Zn(2+)*[OC(O)(CH2)7C(O)O] (2-)*N H =Zn(OCO(CH )7COO)(N H ) 2 4 2 2 4 Molecular Formula: C9H14O4*H4N2*Zn Molecular Weight: 283.643 Type of Substance: Coordination compound InChI Key: ORCSXHISIKPCPI-UHFFFAOYSA-L Note:

2+ NH Zn 2

Conformation (1) Object of Investi- References gation Conformation

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

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Colour & Other Properties

References

colourless

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

Magnetic Data (1) Description (Mag- References netic Data) Diamagnetic

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

Space Group (1) Comment (Space Group)

References

atomic positions available

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling

References

solble in air; insen- Yasodhai; Govindarajan; Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry; vol. 30; nb. 4; sitive to light (2000); p. 745 - 760 ; (from Gmelin), View in Reaxys

Reaxys ID 17543715 View in Reaxys

101/172 Chemical Name: Co(nonanedioate) * 4 H2O Linear Structure Formula: Co(2+)*O2C(CH2)7CO2 (2-)*4H O=Co(O C(CH )7CO )*4H O 2 2 2 2 2 Molecular Formula: C9H14O4*Co*4H2O Molecular Weight: 317.262 Type of Substance: Coordination compound InChI Key: OGTYXUMHOMACQY-UHFFFAOYSA-L Note:

O–

–O

Co 2+ O

Crystal Property Description (1) Colour & Other References Properties deep pink

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Magnetic Data (1) Description (Mag- Moment (Magnet- References netic Data) ic Data) [Acm2] Magnetic moment 4.49794E-19

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Solubility (MCS) (1) 1 of 1

Comment (Solubility (MCS))

slightly sol. in hot EtOH

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys IR Spectroscopy (1)

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1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys Pharmacological Data (2) 1 of 2

Comment (Pharmacological Data)

Bioactivities present

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166, View in Reaxys 2 of 2

Comment (Pharmacological Data)

physiological behaviour discussed

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Reaxys ID 17547921 View in Reaxys

102/172 2

0.46

Cu 2+

2Cu(2+)*2.36OH(1-)*0.82C

Linear Structure Formula: 7H14C2O4 (2-)*0.46H O=Cu (OH)2.36(C H C O )082*0.46H O 2 2 7 14 2 4 2 Molecular Formula: 0C9H14O4*2Cu*0H2O*H2O2 Molecular Weight: 328.207 InChI Key: ODJRXQLWBQXMSO-UHFFFAOYSA-L Note:

H O

O–

–O

0.82

H 2.36O2.36( 2.36-)

Crystal Phase (2) Description (Crys- References tal Phase) Structure of the solid

Hornick; Rabu; Drillon; Polyhedron; vol. 19; nb. 3; (2000); p. 259 - 266 ; (from Gmelin), View in Reaxys

Powder X-ray Dif- Hornick; Rabu; Drillon; Polyhedron; vol. 19; nb. 3; (2000); p. 259 - 266 ; (from Gmelin), View in Reaxys fraction Crystal Property Description (1) Colour & Other References Properties green

Hornick; Rabu; Drillon; Polyhedron; vol. 19; nb. 3; (2000); p. 259 - 266 ; (from Gmelin), View in Reaxys

Magnetic Data (2) Description (Mag- Temperature netic Data) (Magnetic Data) [°C]

References

Curie-Weiss temperature

Hornick; Rabu; Drillon; Polyhedron; vol. 19; nb. 3; (2000); p. 259 - 266 ; (from Gmelin), View in Reaxys

-399.16

Antiferromagnetic

Hornick; Rabu; Drillon; Polyhedron; vol. 19; nb. 3; (2000); p. 259 - 266 ; (from Gmelin), View in Reaxys

Magnetic Susceptibility (1) Comment (MagReferences netic Susceptibility) susceptibility diagram

Hornick; Rabu; Drillon; Polyhedron; vol. 19; nb. 3; (2000); p. 259 - 266 ; (from Gmelin), View in Reaxys

Space Group (1)

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Comment (Space Group)

References

atomic positions available

Hornick; Rabu; Drillon; Polyhedron; vol. 19; nb. 3; (2000); p. 259 - 266 ; (from Gmelin), View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Hornick; Rabu; Drillon; Polyhedron; vol. 19; nb. 3; (2000); p. 259 - 266 ; (from Gmelin), View in Reaxys

Reaxys ID 17548903 View in Reaxys

O –

103/172 Chemical Name: [Co(1,10-phenanthroline)3](nonanedioate) * 10 H2O Linear Structure Formula: Co(C12H8N2)3(2+)*O2C(CH2)7CO2 (2-)*10H O=[Co(C H N )3](O C(CH )7CO )*10H O 2 12 8 2 2 2 2 2 Molecular Formula: C9H14O4*C36H24CoN6*10H2O Molecular Weight: 965.981 Type of Substance: Coordination compound InChI Key: SLZMJOSAJYTSEE-UHFFFAOYSA-L Note:

(v4) (v4)(v6)

N N Co (v4) 2+ (v4) N N (v4) N

O–

(v4)

H 10

Electrolytic Conductivity (1) 1 of 1

Electrolytic Conductivity [S·l/(cm·mol)]

0.131

Solvent (Electrolytic Conductivity)

H2O

Kind of Conductivity

Molar conductivity

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys Magnetic Data (1) Description (Mag- Moment (Magnet- References netic Data) ic Data) [Acm2] Magnetic moment 4.29391E-19

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Solubility (MCS) (1) 1 of 1

Comment (Solubility (MCS))

sol. in H2O, EtOH

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys Pharmacological Data (2)

185/239

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1 of 2

Comment (Pharmacological Data)

Bioactivities present

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166, View in Reaxys 2 of 2

Comment (Pharmacological Data)

physiological behaviour discussed

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Reaxys ID 17549018 View in Reaxys

Chemical Name: [Co(1,10-phenanthroline)3](nonanedioate) * 11.5 H2O Linear Structure Formula: Co(C12H8N2)3(2+)*O2C(CH2)7CO2 (2-)*11.5H O=[Co(C H N )3](O C(CH )7CO )*11.5H O 2 12 8 2 2 2 2 2 Molecular Formula: C9H14O4*C36H24CoN6*11H2O Molecular Weight: 993.003 Type of Substance: Coordination compound InChI Key: SLZMJOSAJYTSEE-UHFFFAOYSA-L Note:

(v4) (v4)(v6)

–O

104/172

N N Co (v4) 2+ (v4) N N (v4) N

O–

(v4)

H 11.5

Density (1) 1 of 1

Density [g·cm-3]

1.38

Measurement Tempera- -120.16 ture [°C] Type (Density)

crystallographic

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys Conformation (1) Object of Investi- References gation Conformation

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Crystal Phase (3) Description (Crys- References tal Phase) blocks

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Structure of the solid

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Single Crystal Xray Diffraction

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Crystal Property Description (2) Colour & Other References Properties orange

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

yellow

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Crystal System (1) Crystal System References Monoclinic

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Interatomic Distances and Angles (1)

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Description

Comment (Interatomic Distances and Angles)

References

Interatomic disSingle Crystal Xtances and angles ray Diffraction

Geraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys

Space Group (1) Space Group

References

Comment (Space Group)

a = 23.320 AngGeraghty, Majella; McCann, Malachy; Devereux, Michael; McKee, Vickie; Inorganica stroem, b = 11.372 Chimica Acta; vol. 293; nb. 2; (1999); p. 160 - 166 ; (from Gmelin), View in Reaxys Angstroem, c = 19.968 Angstroem, β = 112.50; Z = 4; T = 153 K

Reaxys ID 17663395 View in Reaxys

– O(v1)

–O

Linear Structure Formula: Mo2 (4+)*O2C(CH2)7CO2 (2-)*2BF4 (1-)*99CH CN=Mo [O C(CH )7CO ](CH CN)99(BF )2 3 2 2 2 2 3 4 Molecular Formula: 2BF4*(x)C2H3N*C9H14O4*Mo2 Type of Substance: Coordination compound InChI Key: WKOBCMBFAKBDEQ-UHFFFAOYSA-L Note:

(v1) F–

2 O

105/172

–F

(v4) B3+– – F F -1 (v1) 2+ (v1) (v1) Mo

N Mo2+ (v1)

Crystal Property Description (1) Colour & Other References Properties red

Whelan, Elizabeth; Devereux, Michael; McCann, Malachy; McKee, Vickie; Chemical Communications; nb. 5; (1997); p. 427 - 428 ; (from Gmelin), View in Reaxys

Use (1) Laboratory Use and Handling

References

information on use Whelan, Elizabeth; Devereux, Michael; McCann, Malachy; McKee, Vickie; Chemical Communications; nb. 5; (1997); p. 427 - 428 ; (from Gmelin), View in Reaxys

Reaxys ID 17808276 View in Reaxys

106/172 Chemical Name: manganese azelate monohydrate Linear Structure Formula: Mn(2+)*(CH2)7C2O4 (2-)*H2O = Mn(CH2)7C2O4*H2O Molecular Formula: C9H14O4*H2O*Mn Molecular Weight: 259.161 InChI Key: JKDZXURUMMHOMB-UHFFFAOYSA-L Note:

O–

Mn2+

O O

Crystal Property Description (1) Colour & Other References Properties pale pink

Suzuki, Yukihiko; Thermochimica Acta; vol. 255; (1995); p. 155 - 170 ; (from Gmelin), View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

187/239

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Comment (IR Spectroscopy)

700 cm**-1 - 3375 cm**-1

Suzuki, Yukihiko; Thermochimica Acta; vol. 255; (1995); p. 155 - 170 ; (from Gmelin), View in Reaxys

Reaxys ID 17971384 View in Reaxys

(v5)

N HO 2 O

OH 2

107/172

(v5) (v5)CH –

Chemical Name: [(Fe(η5-C5H4-1-(4-C5H4N))2)2(1-azelaic acid)2] Linear Structure Formula: 2Fe(C5H4C5H4N)2*2HOOC(CH2)7COOH=[(Fe(C5H4C5H4N)2)2( HOOC(CH2)7COOH)2] Molecular Formula: 2C9H16O4*2C20H16FeN2 Molecular Weight: 1056.86 Type of Substance: Coordination compound InChI Key: GKGWUQNLZNJAAH-UHFFFAOYSA-N Note:

(v4)

(v5) (v10)

Fe 2+

O N

CH – (v5)(v5) (v5)

(v4)

(v5)

Conformation (1) Object of Investi- References gation Conformation

Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Chemical Communications; nb. 37; (2006); p. 3877 - 3879 ; (from Gmelin), View in Reaxys

Crystal Phase (2) Description (Crys- References tal Phase) Crystal growth

Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Chemical Communications; nb. 37; (2006); p. 3877 - 3879 ; (from Gmelin), View in Reaxys

Structure of the solid

Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Chemical Communications; nb. 37; (2006); p. 3877 - 3879 ; (from Gmelin), View in Reaxys

Crystal Property Description (1) Colour & Other References Properties red

Braga, Dario; Giaffreda, Stefano Luca; Grepioni, Fabrizia; Chemical Communications; nb. 37; (2006); p. 3877 - 3879 ; (from Gmelin), View in Reaxys

Reaxys ID 18366412 View in Reaxys

108/172 Chemical Name: azelaic acid; cetyl alcohol; triethanolamine; hydroquinone monomethyl ether; N,N-dimethyl PABA octyl ester; paraffin; perfume; polyoxyethylene (10) monooleate ester; preservative; pyridoxine; saccharide sodium salt, phosphorylated; sodium bisulfite; sodium pantetheine-S-sulfonate; stearic acid; vaseline; water; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: octadecanoic acid; hexadecan-1ol; polyoxyethylene (10) monooleate ester; triethanolamine; sodium pantetheine-S-sulfonate; octyl 4-(N,N-dimethylamino)benzoate; 4-methoxy-phenol; NaHS03; nonanedioic acid; vitamin B6; water Composition: Comp. Conc.: 3.0 weight percent; 2.0 weight percent; 2.0 weight percent; 1.0 weight percent; 10.0 weight percent; 5.0 weight percent; 0.01 weight percent; 1.00 weight percent; 0.2 weight percent; 0.2 weight percent Note:

No Structure

Pharmacological Data (2) 1 of 2

Comment (Pharmacological Data)

Bioactivities present

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Patent; Ezaki Glico Co., Ltd.; EP1932514; (2008); (A1) English, View in Reaxys 2 of 2

Effect (Pharmacological Data)

skin irritation; effect on

Species or Test-System (Pharmacological Data)

human

Sex

male and female

Method (Pharmacological Data)

(Example 23: Emulsion) According to the following formulation, an emulsion was prepared by a conventional method. Aforementioned emulsion of the present invention was applied to the faces of half of the volunteer subjects (5 men and 5 women, total 10 persons, aged 30 to 46 year old), while a comparative emulsion without the phosphorylated saccharide was applied to the same site of the remaining other half subjects. The 10 subjects applied repeatedly the emulsion in an appropriate amount twice a day for 21 days. 30 days after the completion of the test above, the subjects were crossed over each other, and the same test was carried out at the site different from the previous site to keep the equality of the both of the test groups. The test was controlled under double-blinded. As a result, seven out of ten subjects answered that the emulsion of the Example had superior moisturization feeling and feelings of the alleviation of wrinkles and sag compared with those containing no phosphorylated saccharide. In addition, eight out of ten subjects answered that the emulsion of the Example had superior feelings of improving skin clearness. Examples 20 to 32 were all excellent in moisturizing effect, lower in skin irritation and sensitization, and excellent in stability over time.

Results

title compound is lower in skin irritation and sensitization

Location

Page/Page column 35-36; 42

Patent; Ezaki Glico Co., Ltd.; EP1932514; (2008); (A1) English, View in Reaxys

Reaxys ID 18374357 View in Reaxys

109/172 Type of Substance: mixture (composition completely given) Composition: Comp. Name: acetone; water; nonanedioic acid; all-trans-vitamin A acid; 2,4-diamino-6-(1-piperidinyl)-pyrimidine-3-oxide; N-(1,1-dimethylethyl)-3-oxo-4-aza-5α-androst-1ene-17β-carboxamide Composition: Comp. Conc.: 25.3 g; 1.7 g; 5.9 g; 0.015 g; 0.7 g; 0.07 g Note:

No Structure

Use (8) Use Pattern

References

Hair loss prevention

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Androgenetic hair loss

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Male pattern bald- Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys ness Androgenetic alopecia (AGA)

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Scalp degreasing

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Dandruff removal

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Seborrhoea

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Male hair loss

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Reaxys ID 18374358 View in Reaxys

110/172

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Type of Substance: mixture (composition completely given) Composition: Comp. Name: acetone; water; nonanedioic acid; 1-hydroxypyridine-2-thione, Zn(II) complex; 2,4-diamino-6-(1-piperidinyl)-pyrimidine-3-oxide; N-(1,1-dimethylethyl)-3-oxo-4aza-5α-androst-1-ene-17β-carboxamide Composition: Comp. Conc.: 25.3 g; 1.7 g; 5.9 g; 0.015 g; 0.7 g; 0.07 g Note:

No Structure

Use (8) Use Pattern

References

Hair loss prevention

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Androgenetic hair loss

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Male pattern bald- Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys ness Androgenetic alopecia (AGA)

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Scalp degreasing

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Dandruff removal

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Seborrhoea

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Male hair loss

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Reaxys ID 18374360 View in Reaxys

111/172 Type of Substance: mixture (composition completely given) Composition: Comp. Name: acetone; water; nonanedioic acid; all-trans-vitamin A acid Composition: Comp. Conc.: 25.3 g; 1.7 g; 6.7 g; 0.015 g Note:

No Structure

Use (8) Use Pattern

References

Hair loss prevention

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Androgenetic hair loss

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Male pattern bald- Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys ness Androgenetic alopecia (AGA)

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Scalp degreasing

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Dandruff removal

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Seborrhoea

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Male hair loss

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Reaxys ID 18374361 View in Reaxys

112/172 Type of Substance: mixture (composition completely given) Composition: Comp. Name: acetone; water; nonanedioic acid; (2R,4R)-Ketoconazole; 2,4-diamino-6-(1-piperidinyl)-pyrimi-

No Structure

190/239

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dine-3-oxide; N-(1,1-dimethylethyl)-3-oxo-4-aza-5α-androst-1ene-17β-carboxamide Composition: Comp. Conc.: 25.3 g; 1.7 g; 5.9 g; 0.3 g; 0.7 g; 0.07 g Note: Use (8) Use Pattern

References

Hair loss prevention

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Androgenetic hair loss

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Male pattern bald- Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys ness Androgenetic alopecia (AGA)

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Scalp degreasing

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Dandruff removal

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Seborrhoea

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Male hair loss

Patent; Trigiante, Giuseppe; US2008/152731; (2008); (A1) English, View in Reaxys

Reaxys ID 18389915 View in Reaxys

113/172 Chemical Name: azelaic acid; caprylic/capric triglyceride; cetearyl alcohol; glycerol; isohexadecane; mequinol; phenoxyethanol; propylene glycol; sodium sulfite; steareth-1; steareth-21; stearic acid; water; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: 4-methoxy-phenol; nonanedioic acid; cetostearylic alcohol; octadecanoic acid; sodium sulfite; Propylene glycol; glycerol; phenoxy ethanol; water Composition: Comp. Conc.: 0.1 weight percent; 0.1 weight percent; 1 weight percent; 1.5 weight percent; 0.2 weight percent; 8 weight percent; 2 weight percent; 1 weight percent Note:

No Structure

Use (23) Use Pattern

References

pigmentation disorders

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

hyperpigmentation disorders

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

melasma

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

chloasma

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

lentigo

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

senile lentigo

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

vitiligo

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

freckles

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

post-inflammatory Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, hyperpigmentaView in Reaxys

191/239

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tion caused by abrasion post-inflammatory Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, hyperpigmentaView in Reaxys tion caused by burn post-inflammatory Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, hyperpigmentaView in Reaxys tion caused by scar post-inflammatory Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, hyperpigmentaView in Reaxys tion caused by dermatitis post-inflammatory Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, hyperpigmentaView in Reaxys tion caused by contact allergy nevi

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

hyperpigmentations of genetic origin

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

hyperpigmentations of metabolic origin

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

hyperpigmentations of medicinal origin

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

melanomas

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

pigmentary lesions

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

photo-induced ageing of the skin

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

photo-induced ageing of the integuments

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

chronological ageing of the skin

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

chronological ageing of the skin integuments

Patent; Galderma Research and Development, S.N.C.; US2008/159969; (2008); (A1) English, View in Reaxys

Reaxys ID 19016217 View in Reaxys

114/172 Chemical Name: [Cu(azelate)(4,4'-dipyridylamine) (H2O)]n*3H2O Linear Structure Formula: Cu(2+)*O2C(CH2)7CO2 (2-)*C H NNHC H N*4H O=[Cu(O C(CH )7CO ) 5 4 5 4 2 2 2 2 (C5H4NNHC5H4N)(H2O)]*3H2O Molecular Formula: C9H14O4*C10H9N3*Cu*4H2O Molecular Weight: 493.016 Type of Substance: Coordination compound InChI Key: CGNCNFNKFRAEII-UHFFFAOYSA-L Note:

Cu 2+ O O

O O–

–

4 O

H N

192/239

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Density (1) 1 of 1

Density [g·cm-3]

1.43

Measurement Tempera- -100.16 ture [°C] Type (Density)

crystallographic

Mallika Krishnan, Subhashree; Supkowski, Ronald M.; LaDuca, Robert L.; Journal of Molecular Structure; vol. 891; nb. 1-3; (2008); p. 423 - 428 ; (from Gmelin), View in Reaxys Conformation (1) Object of Investi- References gation Conformation

Mallika Krishnan, Subhashree; Supkowski, Ronald M.; LaDuca, Robert L.; Journal of Molecular Structure; vol. 891; nb. 1-3; (2008); p. 423 - 428 ; (from Gmelin), View in Reaxys

Crystal Phase (3) Description (Crys- References tal Phase) blocks

Mallika Krishnan, Subhashree; Supkowski, Ronald M.; LaDuca, Robert L.; Journal of Molecular Structure; vol. 891; nb. 1-3; (2008); p. 423 - 428 ; (from Gmelin), View in Reaxys

Structure of the solid

Mallika Krishnan, Subhashree; Supkowski, Ronald M.; LaDuca, Robert L.; Journal of Molecular Structure; vol. 891; nb. 1-3; (2008); p. 423 - 428 ; (from Gmelin), View in Reaxys

Single Crystal Xray Diffraction

Mallika Krishnan, Subhashree; Supkowski, Ronald M.; LaDuca, Robert L.; Journal of Molecular Structure; vol. 891; nb. 1-3; (2008); p. 423 - 428 ; (from Gmelin), View in Reaxys

Crystal Property Description (1) Colour & Other References Properties blue

Mallika Krishnan, Subhashree; Supkowski, Ronald M.; LaDuca, Robert L.; Journal of Molecular Structure; vol. 891; nb. 1-3; (2008); p. 423 - 428 ; (from Gmelin), View in Reaxys

Crystal System (1) Crystal System References Monoclinic

Mallika Krishnan, Subhashree; Supkowski, Ronald M.; LaDuca, Robert L.; Journal of Molecular Structure; vol. 891; nb. 1-3; (2008); p. 423 - 428 ; (from Gmelin), View in Reaxys

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disSingle Crystal Xtances and angles ray Diffraction Space Group (1) Space Group 14

Comment (Space Group)

Mallika Krishnan, Subhashree; Supkowski, Ronald M.; LaDuca, Robert L.; Journal of Molecular Structure; vol. 891; nb. 1-3; (2008); p. 423 - 428 ; (from Gmelin), View in Reaxys References

a = 11.550 AngMallika Krishnan, Subhashree; Supkowski, Ronald M.; LaDuca, Robert L.; Journal of stroem, b = 12.651 Molecular Structure; vol. 891; nb. 1-3; (2008); p. 423 - 428 ; (from Gmelin), Angstroem, c = View in Reaxys 16.445 Angstroem, β = 107.607; Z = 4; T = 173 K

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

not given

Comment (IR Spectroscopy)

661 cm**-1 - 3330 cm**-1

Mallika Krishnan, Subhashree; Supkowski, Ronald M.; LaDuca, Robert L.; Journal of Molecular Structure; vol. 891; nb. 1-3; (2008); p. 423 - 428 ; (from Gmelin), View in Reaxys Use (1)

193/239

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Laboratory Use and Handling

References

handling described

Mallika Krishnan, Subhashree; Supkowski, Ronald M.; LaDuca, Robert L.; Journal of Molecular Structure; vol. 891; nb. 1-3; (2008); p. 423 - 428 ; (from Gmelin), View in Reaxys

Reaxys ID 19593881 View in Reaxys

115/172 Chemical Name: [Cd(azelate)(4,4'-dipyridylamine)(H2O)]n Linear Structure Formula: Cd(2+)*OOC(CH2)7COO(2-)*(C5H4N)2NH*H2O=Cd(OOC(CH2)7C OO)((C5H4N)2NH)(H2O) Molecular Formula: C9H14O4*C10H9N3*Cd*H2O Molecular Weight: 487.835 Type of Substance: Coordination compound InChI Key: HPOLEMVQQDXTRZ-UHFFFAOYSA-L Note:

H N

–O

O– O

N H

Cd 2+

Reaxys ID 19593882 View in Reaxys

116/172 Chemical Name: [Cd(azelate)(4,4'-dipyridylamine)(H2O)2]n Linear Structure Formula: Cd(2+)*OOC(CH2)7COO(2-)*(C5H4N)2NH*2H2O=Cd(OOC(CH2)7 COO)((C5H4N)2NH)(H2O)2 Molecular Formula: C9H14O4*C10H9N3*Cd*2H2O Molecular Weight: 505.85 Type of Substance: Coordination compound InChI Key: HPOLEMVQQDXTRZ-UHFFFAOYSA-L Note:

H N

–O

O– O

N H 2 O

Cd 2+

Density (1) 1 of 1

Density [g·cm-3]

1.569

Measurement Tempera- -100.16 ture [°C] Type (Density)

crystallographic

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys Conformation (1) Object of Investi- References gation Conformation

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Crystal Phase (3) Description (Crys- References tal Phase) blocks

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Structure of the solid

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Single Crystal Xray Diffraction

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Crystal Property Description (1) Colour & Other References Properties colorless

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

194/239

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Crystal System (1) Crystal System References Triclinic

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disSingle Crystal Xtances and angles ray Diffraction

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Space Group (1) Space Group

References

Comment (Space Group)

a = 10.5277 Ang- Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert stroem, b = L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys 11.3546 Angstroem, c = 17.9779 Angstroem, α = 89.436, β = 84.930, γ = 85.119; Z = 2; T = 173 K

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, solid phase)

Comment (IR Spectroscopy)

624 cm**-1 - 3266 cm**-1

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys Luminescence Spectroscopy (1) Description (Lumi- References nescence Spectroscopy) Luminescence Use (1) Laboratory Use and Handling lost one H2O on long-term standing

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys References Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Reaxys ID 19593883 View in Reaxys

117/172 CAS Registry Number: 1174016-21-7 Chemical Name: [Co(azelate)(4,4'-dipyridylamine)(H2O)]n Linear Structure Formula: Co(2+)*OOC(CH2)7COO(2-)*(C5H4N)2NH*H2O=Co(OOC(CH2)7C OO)((C5H4N)2NH)(H2O) Molecular Formula: C9H14O4*C10H9N3*Co*H2O Molecular Weight: 434.418 Type of Substance: Coordination compound InChI Key: JJLWFLLNRAWDCB-UHFFFAOYSA-L Note:

H N

–O

O– O

N H

Co 2+

Density (1)

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1 of 1

Density [g·cm-3]

1.511

Measurement Tempera- -100.16 ture [°C] Type (Density)

crystallographic

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Crystal Phase (3) Description (Crys- References tal Phase) blocks

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Structure of the solid

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Single Crystal Xray Diffraction

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Crystal Property Description (2) Colour & Other References Properties magenta

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

pink

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Crystal System (1) Crystal System References Monoclinic

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disSingle Crystal Xtances and angles ray Diffraction

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Space Group (1) Space Group

References

Comment (Space Group)

a = 8.5773 AngShyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert stroem, b = L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys 15.4864 Angstroem, c = 14.8736 Angstroem, β = 104.921; Z = 4; T = 173 K

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, solid phase)

Comment (IR Spectroscopy)

660 cm**-1 - 3156 cm**-1

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

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Use (1) Laboratory Use and Handling

References

stable in air

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Reaxys ID 19593884 View in Reaxys

–O

118/172

O– O

CAS Registry Number: 1174016-22-8 Chemical Name: [Ni(azelate)(4,4'-dipyridylamine)(H2O)]n Linear Structure Formula: Ni(2+)*OOC(CH2)7COO(2-)*(C5H4N)2NH*H2O=Ni(OOC(CH2)7C OO)((C5H4N)2NH)(H2O) Molecular Formula: C9H14O4*C10H9N3*H2O*Ni Molecular Weight: 434.115 Type of Substance: Coordination compound InChI Key: QXXNRNNTKYWIHA-UHFFFAOYSA-L Note:

Ni H 2+ N

O N

N H

Density (1) 1 of 1

Density [g·cm-3]

1.502

Measurement Tempera- -100.16 ture [°C] Type (Density)

crystallographic

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Crystal Phase (3) Description (Crys- References tal Phase) blocks

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Structure of the solid

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Single Crystal Xray Diffraction

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Crystal Property Description (1) Colour & Other References Properties green

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Crystal System (1) Crystal System References Monoclinic

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disSingle Crystal Xtances and angles ray Diffraction

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Space Group (1)

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Space Group

Comment (Space Group)

References

a = 8.6092 AngShyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert stroem, b = 15.910 L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys Angstroem, c = 14.569 Angstroem, β = 105.770; Z = 4; T = 173 K

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

neat (no solvent, solid phase)

Comment (IR Spectroscopy)

677 cm**-1 - 3271 cm**-1

Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys Use (1) Laboratory Use and Handling stable in air

References Shyu, Eric; Krishnan, Subhashree Mallika; Supkowski, Ronald M.; LaDuca, Robert L.; Polyhedron; vol. 28; nb. 8; (2009); p. 1437 - 1446 ; (from Gmelin), View in Reaxys

Reaxys ID 20809554 View in Reaxys

119/172 O

N OH

N N N

CAS Registry Number: 249288-41-3 Linear Structure Formula: C9H16O4*C36H36N24O12 Molecular Formula: C9H16O4*C36H36N24O12 Molecular Weight: 1185.06 InChI Key: BKQMXIXCRWVHBV-UHFFFAOYSA-N Note:

Reaxys ID 20809556 View in Reaxys OH

120/172

OH 6H O 2

O O

N N N

Chemical Name: [(H2AZ)(CB6)]*6H2O Linear Structure Formula: C9H16O4*C36H36N24O12*6H2O Molecular Formula: C9H16O4*C36H36N24O12*6H2O Molecular Weight: 1293.15 InChI Key: JPQMZNXEJBHJQR-UHFFFAOYSA-N Note:

N N

Crystal Phase (3)

198/239

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Description (Crys- References tal Phase) Crystal growth

Thuery, Pierre; Inorganic Chemistry; vol. 49; nb. 19; (2010); p. 9078 - 9085, View in Reaxys

Dimensions of the Thuery, Pierre; Inorganic Chemistry; vol. 49; nb. 19; (2010); p. 9078 - 9085, View in Reaxys unit cell Interplanar spacing

Thuery, Pierre; Inorganic Chemistry; vol. 49; nb. 19; (2010); p. 9078 - 9085, View in Reaxys

Crystal System (1) Comment (Crystal References System) Crystal system given

Thuery, Pierre; Inorganic Chemistry; vol. 49; nb. 19; (2010); p. 9078 - 9085, View in Reaxys

Interatomic Distances and Angles (1) Description References Interatomic disThuery, Pierre; Inorganic Chemistry; vol. 49; nb. 19; (2010); p. 9078 - 9085, View in Reaxys tances and angles Space Group (1) Comment (Space Group) Space group(s) given

References Thuery, Pierre; Inorganic Chemistry; vol. 49; nb. 19; (2010); p. 9078 - 9085, View in Reaxys

Reaxys ID 21450939 View in Reaxys

121/172

H 2N

OH N 2 NH 2 H 2N OH H N 2

NH 2

O O

CAS Registry Number: 1307270-21-8 Linear Structure Formula: C9H16O4*C55H80N10O10 Molecular Formula: C9H16O4*C55H80N10O10 Molecular Weight: 1229.52 InChI Key: LWINIRNARILOHN-UHFFFAOYSA-N Note:

O O O

H 2N

NH 2

NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- water-d2 scopy) Temperature (NMR Spectroscopy) [°C]

24.84

Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

Hu, Xiao-Bo; Chen, Lei; Si, Wen; Yu, Yihua; Hou, Jun-Li; Chemical Communications; vol. 47; nb. 16; (2011); p. 4694 - 4696, View in Reaxys Mass Spectrometry (1) Description (Mass Location Spectrometry)

References

199/239

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ESI (Electrospray ionisation); TOFMS (Time of flight mass spectrum); HRMS (High resolution mass spectrometry); Negative ion spectroscopy; Spectrum

supporting information

Hu, Xiao-Bo; Chen, Lei; Si, Wen; Yu, Yihua; Hou, Jun-Li; Chemical Communications; vol. 47; nb. 16; (2011); p. 4694 - 4696, View in Reaxys

Reaxys ID 21450944 View in Reaxys

122/172 Linear Structure Formula: 2C6H15N*C9H16O4*C55H80N10O10 Molecular Formula: 2C6H15N*C9H16O4*C55H80N10O10 Molecular Weight: 1431.91 InChI Key: MOHIGYNZCKWKDT-UHFFFAOYSA-N Note:

OH O OH

2 N H 2N

OH N 2 NH 2 H 2N

H 2N

NH 2 O

NH 2

O O O O

H 2N

NH 2

NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- water-d2 scopy) Temperature (NMR Spectroscopy) [°C]

24.84

Frequency (NMR Spectroscopy) [MHz]

400

Hu, Xiao-Bo; Chen, Lei; Si, Wen; Yu, Yihua; Hou, Jun-Li; Chemical Communications; vol. 47; nb. 16; (2011); p. 4694 - 4696, View in Reaxys

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Reaxys ID 21953037 View in Reaxys HO -1

123/172 Linear Structure Formula: (x)C9H16O4*C18H23N5 Molecular Formula: (x)C9H16O4*C18H23N5 InChI Key: LRWWPFIJYCRRML-UHFFFAOYSA-N Note:

OH NH 2 O

NH 2

O N

N H

Crystal Phase (1) Description (Crys- References tal Phase) Glass transition temperature

Carvalho, Simao P.; Wang, Ruiyao; Wang, Haotian; Ball, Brian; Lebel, Olivier; Crystal Growth and Design; vol. 10; nb. 6; (2010); p. 2734 - 2745, View in Reaxys

Reaxys ID 22379385 View in Reaxys

124/172 CAS Registry Number: 1386396-23-1 Linear Structure Formula: C6H6N2O*C9H16O4 Molecular Formula: C6H6N2O*C9H16O4 Molecular Weight: 310.35 InChI Key: AINHFCBECWNGOO-UHFFFAOYSA-N Note:

OH N O

NH 2

Conformation (1) Object of Investi- References gation Conformation

Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane; CrystEngComm; vol. 13; nb. 12; (2011); p. 4188 - 4195, View in Reaxys

Crystal Phase (2) Description (Crys- References tal Phase) Dimensions of the Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane; CrystEngComm; vol. 13; nb. 12; unit cell (2011); p. 4188 - 4195, View in Reaxys Crystal growth

Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane; CrystEngComm; vol. 13; nb. 12; (2011); p. 4188 - 4195, View in Reaxys

Crystal Property Description (1) Colour & Other References Properties colourless

Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane; CrystEngComm; vol. 13; nb. 12; (2011); p. 4188 - 4195, View in Reaxys

Crystal System (1) Comment (Crystal References System) Crystal system given

Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane; CrystEngComm; vol. 13; nb. 12; (2011); p. 4188 - 4195, View in Reaxys

Interatomic Distances and Angles (1) Description References Interatomic disThompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane; CrystEngComm; vol. 13; nb. 12; tances and angles (2011); p. 4188 - 4195, View in Reaxys Space Group (1) Comment (Space Group)

References

Space group(s) given

Thompson, Laura J.; Voguri, Raja S.; Male, Louise; Tremayne, Maryjane; CrystEngComm; vol. 13; nb. 12; (2011); p. 4188 - 4195, View in Reaxys

Reaxys ID 22441524 View in Reaxys

125/172

201/239

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Linear Structure Formula: C9H16O4*2C12H16O3 Molecular Formula: C9H16O4*2C12H16O3 Molecular Weight: 604.738 InChI Key: BLVRUFYFJHJEJO-UHFFFAOYSA-N Note:

O 2HO O

Crystal Property Description (1) Colour & Other References Properties white

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Enthalpies of Other Phase Transitions (1) Comment (Enthal- References pies of Other Phase Transitions) Enthalpies of other phase transition(s) given

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Transition Point(s) of Liquid Modification(s) (1) Comment (Transi- References tion Point(s) of Liquid Modification(s)) Transition point(s) Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; liquid/liquid given; (2011); p. 36 - 50, View in Reaxys Transition point(s) liquid/solid given; Transition point(s) solid/liquid given

Reaxys ID 22441525 View in Reaxys OH

126/172

Linear Structure Formula: C9H16O4*2C14H20O3 Molecular Formula: C9H16O4*2C14H20O3 Molecular Weight: 660.846 InChI Key: UNQQGIQDHBPJDP-UHFFFAOYSA-N Note:

O 2HO O

Crystal Property Description (1) Colour & Other References Properties white

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Enthalpies of Other Phase Transitions (1) Comment (Enthal- References pies of Other Phase Transitions) Enthalpies of other phase transition(s) given

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Transition Point(s) of Liquid Modification(s) (1) Comment (Transi- References tion Point(s) of

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Liquid Modification(s)) Transition point(s) Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; liquid/liquid given; (2011); p. 36 - 50, View in Reaxys Transition point(s) liquid/solid given; Transition point(s) solid/liquid given

Reaxys ID 22441526 View in Reaxys OH

127/172

Linear Structure Formula: C9H16O4*2C15H22O3 Molecular Formula: C9H16O4*2C15H22O3 Molecular Weight: 688.899 InChI Key: QFTYUVUOKKJNCP-UHFFFAOYSA-N Note:

O 2HO O

Crystal Property Description (1) Colour & Other References Properties white

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Enthalpies of Other Phase Transitions (1) Comment (Enthal- References pies of Other Phase Transitions) Enthalpies of other phase transition(s) given

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Reaxys ID 22441527 View in Reaxys OH

128/172

Linear Structure Formula: C9H16O4*2C16H24O3 Molecular Formula: C9H16O4*2C16H24O3 Molecular Weight: 716.953 InChI Key: ZPAVVILVQNXVJE-UHFFFAOYSA-N Note:

O 2HO O

Crystal Property Description (1) Colour & Other References Properties

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white

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Enthalpies of Other Phase Transitions (1) Comment (Enthal- References pies of Other Phase Transitions) Enthalpies of other phase transition(s) given

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Reaxys ID 22441529 View in Reaxys OH

129/172

Linear Structure Formula: C9H16O4*2C17H26O3 Molecular Formula: C9H16O4*2C17H26O3 Molecular Weight: 745.007 InChI Key: GFNFMYHVWXSSPN-UHFFFAOYSA-N Note:

O 2HO O

Crystal Property Description (1) Colour & Other References Properties white

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Enthalpies of Other Phase Transitions (1) Comment (Enthal- References pies of Other Phase Transitions) Enthalpies of other phase transition(s) given

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

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Reaxys ID 22441530 View in Reaxys OH

130/172

Linear Structure Formula: C9H16O4*2C19H30O3 Molecular Formula: C9H16O4*2C19H30O3 Molecular Weight: 801.114 InChI Key: LQFAICAIHBZGHH-UHFFFAOYSA-N Note:

2 HO O

Crystal Property Description (1) Colour & Other References Properties white

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Enthalpies of Other Phase Transitions (1) Comment (Enthal- References pies of Other Phase Transitions) Enthalpies of other phase transition(s) given

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Description (IR Spectroscopy)

FT-IR-Difference Spectroscopy; Bands; Spectrum

Solvent (IR Spectroscopy)

potassium bromide

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Reaxys ID 22441533 View in Reaxys OH

131/172

2 O

Linear Structure Formula: C9H16O4*C18H28O3 (2+) Molecular Formula: C9H16O4*C18H28O3 Molecular Weight: 480.642 InChI Key: ATIOFGRPSUYYSV-UHFFFAOYSA-N Note:

HO O

Crystal Property Description (1) Colour & Other References Properties white

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Enthalpies of Other Phase Transitions (1) Comment (Enthal- References pies of Other Phase Transitions)

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Enthalpies of other phase transition(s) given

Subhapriya; Vijayakumar; Madhu Mohan; Vijayanand; Molecular Crystals and Liquid Crystals; vol. 537; (2011); p. 36 - 50, View in Reaxys

Reaxys ID 22574838 View in Reaxys

132/172 CAS Registry Number: 1363409-83-9 Linear Structure Formula: C8 (11)CH16O4 Molecular Formula: C9H16O4 Molecular Weight: 187.213 InChI Key: BDJRBEYXGGNYIS-COJKEBBMSA-N Note:

11C

Reaxys ID 22574839 View in Reaxys

133/172 CAS Registry Number: 332848-57-4 Linear Structure Formula: C8 (14)CH16O4 Molecular Formula: C9H16O4 Molecular Weight: 190.213 InChI Key: BDJRBEYXGGNYIS-PPJXEINESA-N Note:

14C

Reaxys ID 22721995 View in Reaxys

134/172

2 Ag+

Chemical Name: (Ag2(1,3-bis(4-pyridyl)propne)2(azelato)*7water*methanol)n Linear Structure Formula: 2Ag(1+)*2NC5H4CH2CH2CH2C5H4N*O2C(CH2)7CO2 (2-)*7H O*CH OH=Ag (CH (CH C H N)2)2(O C(CH )7CO )*7H 2 3 2 2 2 5 4 2 2 2 2O*CH3OH Molecular Formula: 2Ag*CH4O*C9H14O4*2C13H14N2*7H2O Molecular Weight: 956.628 Type of Substance: Coordination compound InChI Key: ZBRCGRVNJZWTST-UHFFFAOYSA-L Note:

H 2

H –O

O O

O–

Density (1) 1 of 1

Density [g·cm-3]

1.541

Type (Density)

crystallographic

Luo, Geng-Geng; Zhu, Rui-Min; He, Wei-Jun; Li, Ming-Zhi; Zhao, Qing-Hua; Li, Dong-Xu; Dai, Jing-Cao; Journal of Molecular Structure; vol. 1021; (2012); p. 84 - 88 ; (from Gmelin), View in Reaxys Conformation (1)

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Object of Investigation

References

Conformation

Luo, Geng-Geng; Zhu, Rui-Min; He, Wei-Jun; Li, Ming-Zhi; Zhao, Qing-Hua; Li, Dong-Xu; Dai, Jing-Cao; Journal of Molecular Structure; vol. 1021; (2012); p. 84 - 88 ; (from Gmelin), View in Reaxys

Crystal Phase (3) Description (Crys- References tal Phase) Structure of the solid

Luo, Geng-Geng; Zhu, Rui-Min; He, Wei-Jun; Li, Ming-Zhi; Zhao, Qing-Hua; Li, Dong-Xu; Dai, Jing-Cao; Journal of Molecular Structure; vol. 1021; (2012); p. 84 - 88 ; (from Gmelin), View in Reaxys

Single Crystal Xray Diffraction

Luo, Geng-Geng; Zhu, Rui-Min; He, Wei-Jun; Li, Ming-Zhi; Zhao, Qing-Hua; Li, Dong-Xu; Dai, Jing-Cao; Journal of Molecular Structure; vol. 1021; (2012); p. 84 - 88 ; (from Gmelin), View in Reaxys

blocks

Luo, Geng-Geng; Zhu, Rui-Min; He, Wei-Jun; Li, Ming-Zhi; Zhao, Qing-Hua; Li, Dong-Xu; Dai, Jing-Cao; Journal of Molecular Structure; vol. 1021; (2012); p. 84 - 88 ; (from Gmelin), View in Reaxys

Crystal Property Description (1) Colour & Other References Properties colorless

Luo, Geng-Geng; Zhu, Rui-Min; He, Wei-Jun; Li, Ming-Zhi; Zhao, Qing-Hua; Li, Dong-Xu; Dai, Jing-Cao; Journal of Molecular Structure; vol. 1021; (2012); p. 84 - 88 ; (from Gmelin), View in Reaxys

Crystal System (1) Crystal System References Monoclinic

Luo, Geng-Geng; Zhu, Rui-Min; He, Wei-Jun; Li, Ming-Zhi; Zhao, Qing-Hua; Li, Dong-Xu; Dai, Jing-Cao; Journal of Molecular Structure; vol. 1021; (2012); p. 84 - 88 ; (from Gmelin), View in Reaxys

Luo, Geng-Geng; Zhu, Rui-Min; He, Wei-Jun; Li, Ming-Zhi; Zhao, Qing-Hua; Li, DongXu; Dai, Jing-Cao; Journal of Molecular Structure; vol. 1021; (2012); p. 84 - 88 ; (from Gmelin), View in Reaxys

Comment (Space Group)

References

a = 19.424 Angstroem, b = 8.505 Angstroem, c = 26.331 Angstroem, β = 109.922; Z = 4

Luo, Geng-Geng; Zhu, Rui-Min; He, Wei-Jun; Li, Ming-Zhi; Zhao, Qing-Hua; Li, DongXu; Dai, Jing-Cao; Journal of Molecular Structure; vol. 1021; (2012); p. 84 - 88 ; (from Gmelin), View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Comment (IR Spectroscopy)

400 cm**-1 - 4000 cm**-1

Luo, Geng-Geng; Zhu, Rui-Min; He, Wei-Jun; Li, Ming-Zhi; Zhao, Qing-Hua; Li, Dong-Xu; Dai, Jing-Cao; Journal of Molecular Structure; vol. 1021; (2012); p. 84 - 88 ; (from Gmelin), View in Reaxys

Reaxys ID 22726588 View in Reaxys

135/172

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Linear Structure Formula: C9H16O4*C12H13ClN4 Molecular Formula: C9H16O4*C12H13ClN4 Molecular Weight: 436.939 InChI Key: ZLFJCJMZEHTMPT-UHFFFAOYSA-N Note:

Cl HO

NH 2

OH N O

O H 2N

Crystal Property Description (1) Colour & Other References Properties colourless

Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Jones, William; Chemistry - A European Journal; vol. 18; nb. 22; (2012); p. 6835 - 6846, View in Reaxys

Reaxys ID 22726592 View in Reaxys HO

136/172 CAS Registry Number: 1391742-73-6 Linear Structure Formula: CH4O*C9H16O4*C12H13ClN4 Molecular Formula: CH4O*C9H16O4*C12H13ClN4 Molecular Weight: 468.981 InChI Key: XKKNJPGQOBXCBU-UHFFFAOYSA-N Note:

OH O

Cl NH 2

N H 2N

Crystal Phase (2) Description (Crys- References tal Phase) Dimensions of the Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Jones, William; Chemistry - A European Journal; vol. 18; unit cell nb. 22; (2012); p. 6835 - 6846, View in Reaxys Crystal growth

Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Jones, William; Chemistry - A European Journal; vol. 18; nb. 22; (2012); p. 6835 - 6846, View in Reaxys

Crystal System (1) Comment (Crystal References System) Crystal system given

Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Jones, William; Chemistry - A European Journal; vol. 18; nb. 22; (2012); p. 6835 - 6846, View in Reaxys

Space Group (1) Comment (Space Group)

References

Space group(s) given

Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Jones, William; Chemistry - A European Journal; vol. 18; nb. 22; (2012); p. 6835 - 6846, View in Reaxys

Reaxys ID 22753803 View in Reaxys

OH O

137/172

H N

CAS Registry Number: 1364123-26-1 Linear Structure Formula: C9H16O4*C11H9N3O Molecular Formula: C9H16O4*C11H9N3O Molecular Weight: 387.436 InChI Key: OZXANZLXGDVLGR-UHFFFAOYSA-N Note:

O O

Melting Point (1) 1 of 1

Melting Point [°C]

92 - 95

Solvent (Melting Point)

ethyl acetate

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys Crystal Phase (2)

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Description (Crys- References tal Phase) Dimensions of the Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; unit cell vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys Crystal growth

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys

Crystal Property Description (1) Colour & Other References Properties colourless

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys

Crystal System (1) Comment (Crystal References System) Crystal system given

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys

Interatomic Distances and Angles (1) Description References Interatomic disAakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; tances and angles vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys Space Group (1) Comment (Space Group)

References

Space group(s) given

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys

Reaxys ID 22753804 View in Reaxys

138/172

OH N O

CAS Registry Number: 1364123-33-0 Linear Structure Formula: C9H16O4*C11H9N3O Molecular Formula: C9H16O4*C11H9N3O Molecular Weight: 387.436 InChI Key: IHJBDINCCDUOCE-UHFFFAOYSA-N Note:

O N H

Melting Point (1) 1 of 1

Melting Point [°C]

90 - 93

Solvent (Melting Point)

ethyl acetate

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys Crystal Phase (2) Description (Crys- References tal Phase) Dimensions of the Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; unit cell vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys Crystal growth

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys

Crystal Property Description (1) Colour & Other References Properties

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colourless

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys

Crystal System (1) Comment (Crystal References System) Crystal system given

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys

References

Space group(s) given

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Aakeroey, Christer B.; Panikkattu, Sheelu V.; Dehaven, Baillie; Desper, John; Crystal Growth and Design; vol. 12; nb. 5; (2012); p. 2579 - 2587, View in Reaxys

Reaxys ID 22845583 View in Reaxys –O

O– O

139/172 Linear Structure Formula: C9H14O4 (2-)*2C H N(1+)*C H N O 16 36 63 70 4 12 Molecular Formula: C9H14O4*2C16H36N*C63H70N4O12 Molecular Weight: 1746.41 InChI Key: KPSXVOFZCPEQIX-UHFFFAOYSA-L Note:

N+

O O N H O N H

H N

H N O

O O

NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Temperature (NMR Spectroscopy) [°C]

24.84

Frequency (NMR Spectroscopy) [MHz]

400

Location

supporting information

References Duan, Qunpeng; Xia, Wei; Hu, Xiaoyu; Ni, Mengfei; Jiang, Juli; Lin, Chen; Pan, Yi; Wang, Leyong; Chemical Communications; vol. 48; nb. 68; (2012); p. 8532 - 8534, View in Reaxys

210/239

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tive ion spectroscopy; Spectrum

Reaxys ID 22995555 View in Reaxys

140/172 N

CAS Registry Number: 1403775-47-2 Linear Structure Formula: C12H10N4*C9H14O4 (2-)*Co(2+) Molecular Formula: C9H14O4*C12H10N4*Co Molecular Weight: 455.439 InChI Key: BZNFMHWTOXPLIA-UHFFFAOYSA-L Note:

–O

Co 2+

O–

N N

Substance Label (1) Label References 1

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Density (1) 1 of 1

Density [g·cm-3]

1.404

Type (Density)

crystallographic

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys Crystal Phase (1) Description (Crys- References tal Phase) Structure of the solid

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Crystal Property Description (1) Colour & Other References Properties purple-black

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Crystal System (1) Crystal System References Rhombic

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Space Group (1) Space Group 52

Comment (Space Group)

References

a = 13.648 Å; b = 11.245 Å; c = 14.04 Å; α = 90 °; β = 90 °; γ = 90 °; Z = 4; Method = Single crystal Xray diffraction

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

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Reaxys ID 22995556 View in Reaxys

141/172 N

CAS Registry Number: 1403775-48-3 Linear Structure Formula: C9H14O4 (2-)*C12H10N4*Cu(2+) Molecular Formula: C9H14O4*C12H10N4*Cu Molecular Weight: 459.992 InChI Key: MGVXHPNPTJFPOK-UHFFFAOYSA-L Note:

N Cu 2+ N –O

O–

Substance Label (1) Label References 2

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Density (1) 1 of 1

Density [g·cm-3]

1.475

Type (Density)

crystallographic

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys Crystal Property Description (1) Colour & Other References Properties blue-black

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Crystal System (1) Crystal System References Triclinic

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Space Group (1) Space Group 1

Comment (Space Group)

References

a = 8.3461 Å; b = Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; 10.412 Å; c = vol. 24; (2012); p. 200 - 204, View in Reaxys 12.667 Å; α = 102.85 °; β = 104.83 °; γ = 90.14 °; Z = 1; Method = Single crystal Xray diffraction

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Reaxys ID 22995557 View in Reaxys

142/172

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Cd 2+

3H O 2

–O

Linear Structure Formula: C12H10N4*C9H14O4 (2-)*Cd(2+)*3H2O Molecular Formula: C9H14O4*C12H10N4*Cd*3H2O Molecular Weight: 562.902 InChI Key: KMSGFVYZJFTFSN-UHFFFAOYSA-L Note:

O–

O N N

N N

Substance Label (1) Label References 3

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Density (1) 1 of 1

Density [g·cm-3]

1.559

Type (Density)

crystallographic

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Crystal Property Description (1) Colour & Other References Properties colourless

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Crystal System (1) Crystal System References Monoclinic

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Space Group (1) Space Group 14

Comment (Space Group)

References

a = 13.875 Å; b = Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; 12.242 Å; c = vol. 24; (2012); p. 200 - 204, View in Reaxys 18.408 Å; α = 90 °; β = 129.934 °; γ = 90 °; Z = 4; Method = Single crystal Xray diffraction

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

potassium bromide

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Inorganic Chemistry Communications; vol. 24; (2012); p. 200 - 204, View in Reaxys

Reaxys ID 23035163 View in Reaxys

143/172

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H 2N HO

NH H 2N

Linear Structure Formula: C9H16O4*C16H14N4 Molecular Formula: C9H16O4*C16H14N4 Molecular Weight: 450.538 InChI Key: IZWGAJIVFAYFAJ-UHFFFAOYSA-N Note:

OH O

Substance Label (1) Label References 1*5g

Kusukawa, Takahiro; Toyama, Keisuke; Takeshita, Shota; Tanaka, Syugo; Tetrahedron; vol. 68; nb. 48; (2012); p. 9973 - 9981,9, View in Reaxys

Fluorescence Spectroscopy (1) Description (Fluo- Location rescence Spectroscopy) Spectrum

References

supporting information

Kusukawa, Takahiro; Toyama, Keisuke; Takeshita, Shota; Tanaka, Syugo; Tetrahedron; vol. 68; nb. 48; (2012); p. 9973 - 9981,9, View in Reaxys

Reaxys ID 23047819 View in Reaxys 8 H 27O

144/172

Ni 2+

2 OH –

2 Cl –

HO 0.5

OH O

6 –O

O–

Chemical Name: {[Ni5(azelate)3(azelaic acid)0.5(μ3-OH)2(1,4bis(1-imidazolyl)benzene)4][Ni(azelate)(1,4-bis(1-imidazolyl)benzene)(H2O)2]2Cl2}·4H2O; {[Ni5(aze)3(H2aze)0.5(μ3OH)2(L)4][Ni(aze)(L)(H2O)2]2Cl2}·4H2O Linear Structure Formula: 6C12H10N4*7Ni(2+)*2HO(1-)*2Cl(1-)*0.5C9H16O4*5C9H14O4 (2-)*8H O 2 Molecular Formula: 5C9H14O4*0C9H16O4*6C12H10N4*2Cl*2HO*8H2O*7Ni Molecular Weight: 2946.45 InChI Key: ZWOSEBKCSUWOBC-UHFFFAOYSA-J Note:

Substance Label (1) Label References 1

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Crystal Growth and Design; vol. 12; nb. 10; (2012); p. 4712 - 4715,4, View in Reaxys

Crystal System (1) Crystal System References Monoclinic

Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Crystal Growth and Design; vol. 12; nb. 10; (2012); p. 4712 - 4715,4, View in Reaxys

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disPowder X-ray Dif- Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Crystal Growth and Design; vol. 12; nb. tances and angles fraction 10; (2012); p. 4712 - 4715,4, View in Reaxys Magnetic Data (1) Description (Mag- References netic Data) Antiferromagnet- Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Crystal Growth and Design; vol. 12; nb. 10; (2012); p. 4712 ic; Ferromagnetic; - 4715,4, View in Reaxys Magnetization diagram Magnetic Susceptibility (1) Comment (MagReferences netic Susceptibility) Magnetic suscept- Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Crystal Growth and Design; vol. 12; nb. 10; (2012); p. 4712 ibility Diagram - 4715,4, View in Reaxys

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Space Group (1) Space Group 14

References Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min; Crystal Growth and Design; vol. 12; nb. 10; (2012); p. 4712 - 4715,4, View in Reaxys

Reaxys ID 23534584 View in Reaxys

145/172 CAS Registry Number: 1429405-79-7 Linear Structure Formula: C7H6N2S*C9H16O4 Molecular Formula: C7H6N2S*C9H16O4 Molecular Weight: 338.428 InChI Key: VXIZSMNOQAVTLJ-UHFFFAOYSA-N Note:

OH H 2N O

Substance Label (1) Label References 3

Su, Hai-Feng; Xue, Lan; Li, Yun-Hua; Lin, Shui-Chao; Wen, Yi-Mei; Huang, Rong-Bin; Xie, Su-Yuan; Zheng, Lan-Sun; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6122 - 6129, View in Reaxys

Density (1) 1 of 1

Density [g·cm-3]

1.316

Type (Density)

crystallographic

Location

supporting information

Su, Hai-Feng; Xue, Lan; Li, Yun-Hua; Lin, Shui-Chao; Wen, Yi-Mei; Huang, Rong-Bin; Xie, Su-Yuan; Zheng, LanSun; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6122 - 6129, View in Reaxys Crystal Phase (2) Description (Crys- Location tal Phase)

References

Structure of the solid

supporting information

Crystal growth

supporting information

Crystal System (1) Crystal System Location Monoclinic

supporting information

References Su, Hai-Feng; Xue, Lan; Li, Yun-Hua; Lin, Shui-Chao; Wen, Yi-Mei; Huang, Rong-Bin; Xie, Su-Yuan; Zheng, Lan-Sun; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6122 - 6129, View in Reaxys

Interatomic Distances and Angles (1) Description Location Comment (Interatomic Distances and Angles) Interatomic dissupporting infortances and angles mation

Space Group (1) Space Group 15

References

Single Crystal Xray Diffraction

Location

Comment (Space Group)

References

supporting information

a = 29.028 Å; b = 7.6244 Å; c = 25.456 Å; β = 118.94 °; Z = 8; Method = Single crystal X-ray diffraction; atomic positions available

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Mass Spectrometry (2) Description (Mass Location Spectrometry)

References

IT (ion trap); frag- supporting informentation pattern; mation spectrum

electrospray ioni- supporting inforsation (ESI); frag- mation mentation pattern; spectrum

Reaxys ID 23534585 View in Reaxys

146/172 CAS Registry Number: 1429405-82-2 Linear Structure Formula: C9H16O4*C8H8N2S Molecular Formula: C8H8N2S*C9H16O4 Molecular Weight: 352.455 InChI Key: HNFYAVGYPKAYJV-UHFFFAOYSA-N Note:

OH H 2N O

Substance Label (1) Label References 4

Density (1) 1 of 1

Density [g·cm-3]

1.314

Type (Density)

crystallographic

Location

supporting information

References

Structure of the solid

supporting information

Crystal growth

supporting information

Crystal System (1) Crystal System Location Triclinic

supporting information

Interatomic Distances and Angles (1) Description Location Comment (Interatomic Distances and Angles) Interatomic dissupporting infortances and angles mation

Space Group (1) Space Group

Location

References

Single Crystal Xray Diffraction

Comment (Space Group)

References

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supporting information

a = 9.108 Å; b = 10.201 Å; c = 11.29 Å; α = 100.34 °; β = 105.73 °; γ = 111.7 °; Z = 2; Method = Single crystal Xray diffraction; atomic positions available

Mass Spectrometry (3) Description (Mass References Spectrometry) IT (ion trap); frag- Su, Hai-Feng; Xue, Lan; Li, Yun-Hua; Lin, Shui-Chao; Wen, Yi-Mei; Huang, Rong-Bin; Xie, Su-Yuan; mentation pattern; Zheng, Lan-Sun; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6122 - 6129, spectrum View in Reaxys IT (ion trap); tan- Su, Hai-Feng; Xue, Lan; Li, Yun-Hua; Lin, Shui-Chao; Wen, Yi-Mei; Huang, Rong-Bin; Xie, Su-Yuan; dem mass specZheng, Lan-Sun; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6122 - 6129, trometry; fragView in Reaxys mentation pattern; spectrum IT (ion trap); tan- Su, Hai-Feng; Xue, Lan; Li, Yun-Hua; Lin, Shui-Chao; Wen, Yi-Mei; Huang, Rong-Bin; Xie, Su-Yuan; dem mass specZheng, Lan-Sun; Journal of the American Chemical Society; vol. 135; nb. 16; (2013); p. 6122 - 6129, trometry; electro- View in Reaxys spray ionisation (ESI); fragmentation pattern; spectrum

Reaxys ID 24018027 View in Reaxys

147/172 Chemical Name: water extract of curcuma Type of Substance: mixture (composition partially given) Composition: Comp. Name: 2-hydroxypropionic acid; alphahydroxyethanoic acid; 2-hydroxyacrylic acid; [3H]-L-Alanine; 2aminobutanoic acid; oxalic acid; 2-aminoisovaleric acid; urea; benzoic acid; phosphoric acid; Z-(s,S)-isoleucine; glycine; succinic acid; α,β-di(hydroxy)propionic acid; methylenesuccinic acid; noncarboxylic acid; phosphoric acid triethylester; 1,8-octanedicarboxylic acid; 2-hydroxy-2-phenylethanamine; 2-(4-hydroxy-3methoxyphenyl)-ethylamine; phosphoric acid monophenyl ester; 2-hydroxysuccinic acid; D-arabino-hexos-2-ulose; [14C]-4-Aminobutyric acid; 2,3,4-Trihydroxybutanoic acid; D-xylitol; arabitol; suberic acid methylphthalimidomonoester; mannonic acid, lactone; 2-hydroxybenzenebutanoic acid; nonanedioic acid; citric acid; D-arabinofuranose; heptagluconic acid; methyl-α-D-glucopyranoside; 3,4,5-trihydroxybenzenoic Acid; D-gluconic acid; hexadecanoic acid; i-inositol; (Z)-9-octadecenoic acid; 2,2-bis(4hydroxyphenyl)propane; octadecanoic acid; Palmitic acid monoglyceride; alpha-D-glucopyranose; Stearic acid monoglyceride Note:

No Structure

Substance Label (1) Label References CW

Man, Shuli; Li, Yuanyuan; Fan, Wei; Gao, Wenyuan; Liu, Zhen; Li, Nan; Zhang, Yao; Liu, ChangXiao; International Journal of Pharmaceutics; vol. 454; nb. 1; (2013); p. 296 - 301, View in Reaxys

Pharmacological Data (2) 1 of 2

Comment (Pharmacological Data)

Bioactivities present

Man, Shuli; Li, Yuanyuan; Fan, Wei; Gao, Wenyuan; Liu, Zhen; Li, Nan; Zhang, Yao; Liu, ChangXiao; International Journal of Pharmaceutics; vol. 454; nb. 1; (2013); p. 296 - 301, View in Reaxys

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2 of 2

Comment (Pharmacological Data)

physiological behaviour discussed

Man, Shuli; Li, Yuanyuan; Fan, Wei; Gao, Wenyuan; Liu, Zhen; Li, Nan; Zhang, Yao; Liu, ChangXiao; International Journal of Pharmaceutics; vol. 454; nb. 1; (2013); p. 296 - 301, View in Reaxys

Reaxys ID 24591142 View in Reaxys –O

148/172 Chemical Name: [Zn(pmbm)(aze)] Linear Structure Formula: C13H11N3*C9H14O4 (2-)*Zn(2+) Molecular Formula: C9H14O4*C13H11N3*Zn Molecular Weight: 460.848 InChI Key: MFQOYSZOKIMETL-UHFFFAOYSA-L Note:

O– Zn 2+ O

N N

Substance Label (1) Label References 3

Hao, Hong-Jun; Du, Ming-Yue; Wang, Dan-Feng; Sun, Cheng-Jie; Wang, Zhan-Hui; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1048; (2013); p. 124 - 129, View in Reaxys

Density (1) 1 of 1

Density [g·cm-3]

1.382

Type (Density)

crystallographic

Hao, Hong-Jun; Du, Ming-Yue; Wang, Dan-Feng; Sun, Cheng-Jie; Wang, Zhan-Hui; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1048; (2013); p. 124 - 129, View in Reaxys Crystal Phase (2) Description (Crys- References tal Phase) Structure of the solid

Hao, Hong-Jun; Du, Ming-Yue; Wang, Dan-Feng; Sun, Cheng-Jie; Wang, Zhan-Hui; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1048; (2013); p. 124 - 129, View in Reaxys

Crystal growth

Hao, Hong-Jun; Du, Ming-Yue; Wang, Dan-Feng; Sun, Cheng-Jie; Wang, Zhan-Hui; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1048; (2013); p. 124 - 129, View in Reaxys

Crystal Property Description (1) Colour & Other References Properties yellow

Hao, Hong-Jun; Du, Ming-Yue; Wang, Dan-Feng; Sun, Cheng-Jie; Wang, Zhan-Hui; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1048; (2013); p. 124 - 129, View in Reaxys

Crystal System (1) Crystal System References Triclinic

Hao, Hong-Jun; Du, Ming-Yue; Wang, Dan-Feng; Sun, Cheng-Jie; Wang, Zhan-Hui; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1048; (2013); p. 124 - 129, View in Reaxys

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disSingle Crystal Xtances and angles ray Diffraction Space Group (1) Space Group 2

Comment (Space Group)

a = 8.119 Å; b = Hao, Hong-Jun; Du, Ming-Yue; Wang, Dan-Feng; Sun, Cheng-Jie; Wang, Zhan-Hui; 9.721 Å; c = Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1048; (2013); p. 14.606 Å; α = 124 - 129, View in Reaxys 88.04 °; β = 88.28 °; γ = 74.09 °; Z = 2; Method = Single crystal X-ray dif-

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fraction; atomic positions available IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Intensity of IR bands; Bands

Solvent (IR Spectroscopy)

potassium bromide

Hao, Hong-Jun; Du, Ming-Yue; Wang, Dan-Feng; Sun, Cheng-Jie; Wang, Zhan-Hui; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1048; (2013); p. 124 - 129, View in Reaxys Fluorescence Spectroscopy (1) Description (Fluo- References rescence Spectroscopy) Spectrum; Maxima

Hao, Hong-Jun; Du, Ming-Yue; Wang, Dan-Feng; Sun, Cheng-Jie; Wang, Zhan-Hui; Huang, Rong-Bin; Zheng, Lan-Sun; Journal of Molecular Structure; vol. 1048; (2013); p. 124 - 129, View in Reaxys

Reaxys ID 25339363 View in Reaxys

149/172

OH O

Linear Structure Formula: C9H16O4*C30H42BrNO Molecular Formula: C9H16O4*C30H42BrNO Molecular Weight: 700.797 InChI Key: NKQGKGAKBHBOHI-UHFFFAOYSA-N Note:

N OH

Pharmacological Data (1) 1 of 1

Comment (Pharmacological Data)

Bioactivities present

Harmon; Lin; Gupta; Journal of Medicinal Chemistry; vol. 16; nb. 8; (1973); p. 940 - 942, View in Reaxys

Reaxys ID 26603315 View in Reaxys

150/172 O

N HO 0.5

OH O

S N

O O

Chemical Name: sildenafil sebacic acid Linear Structure Formula: C22H30N6O4S*0.5C9H16O4 Molecular Formula: 0C9H16O4*C22H30N6O4S Molecular Weight: 568.696 InChI Key: HUWUARLRPSPYLN-UHFFFAOYSA-N Note:

Substance Label (1) Label References SLD-SEB

Sanphui, Palash; Tothadi, Srinu; Ganguly, Somnath; Desiraju, Gautam R.; Molecular Pharmaceutics; vol. 10; nb. 12; (2013); p. 4687 - 4697, View in Reaxys

Density (1) 1 of 1

Density [g·cm-3]

1.311

Measurement Tempera- -123.16 ture [°C] Type (Density)

crystallographic

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2016-03-15 06:25:01

Sanphui, Palash; Tothadi, Srinu; Ganguly, Somnath; Desiraju, Gautam R.; Molecular Pharmaceutics; vol. 10; nb. 12; (2013); p. 4687 - 4697, View in Reaxys Crystal Phase (1) Description (Crys- References tal Phase) Structure of the solid

Sanphui, Palash; Tothadi, Srinu; Ganguly, Somnath; Desiraju, Gautam R.; Molecular Pharmaceutics; vol. 10; nb. 12; (2013); p. 4687 - 4697, View in Reaxys

Crystal System (1) Crystal System References Monoclinic

Sanphui, Palash; Tothadi, Srinu; Ganguly, Somnath; Desiraju, Gautam R.; Molecular Pharmaceutics; vol. 10; nb. 12; (2013); p. 4687 - 4697, View in Reaxys

Interatomic Distances and Angles (1) Description Comment (Intera- References tomic Distances and Angles) Interatomic disSingle Crystal Xtances and angles ray Diffraction

Sanphui, Palash; Tothadi, Srinu; Ganguly, Somnath; Desiraju, Gautam R.; Molecular Pharmaceutics; vol. 10; nb. 12; (2013); p. 4687 - 4697, View in Reaxys

Solubility (MCS) (1) 1 of 1

Solubility [g·l-1]

42.9

Saturation

in solution

Solvent (Solubility (MCS))

hydrogenchloride; water

Ratio of Solvents

HCl (0.1 mol); water (1 l)

Sanphui, Palash; Tothadi, Srinu; Ganguly, Somnath; Desiraju, Gautam R.; Molecular Pharmaceutics; vol. 10; nb. 12; (2013); p. 4687 - 4697, View in Reaxys Space Group (1) Space Group 14

Comment (Space Group)

References

a = 18.969 Å; b = Sanphui, Palash; Tothadi, Srinu; Ganguly, Somnath; Desiraju, Gautam R.; Molecular 14.82 Å; c = Pharmaceutics; vol. 10; nb. 12; (2013); p. 4687 - 4697, View in Reaxys 10.525 Å; β = 99.559 °; Z = 4; T = 150 K; Method = Single crystal Xray diffraction; atomic positions available

Reaxys ID 26708999 View in Reaxys

2H 2H 2H 2H 2H

151/172 CAS Registry Number: 119176-67-9 Chemical Name: [D14]azelaic acid Linear Structure Formula: C9H2 (2)H14O4 Molecular Formula: C9H16O4 Molecular Weight: 202.112 InChI Key: BDJRBEYXGGNYIS-ODSOAMBASA-N Note:

2H 2H 2H

OH 2

H 2H 2H 2H 2H 2H

Substance Label (1) Label References 1

Darwish, Tamim A.; Luks, Emily; Moraes, Greta; Yepuri, Nageshwar R.; Holden, Peter J.; Jamesa, Michael; Journal of Labelled Compounds and Radiopharmaceuticals; vol. 56; nb. 9-10; (2013); p. 520 - 529, View in Reaxys

Crystal Property Description (1) Colour & Other References Properties

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white

NMR Spectroscopy (2) 1 of 2

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- methanol-d1 scopy) Temperature (NMR Spectroscopy) [°C]

24.84

Frequency (NMR Spectroscopy) [MHz]

400

Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- methanol-d1 scopy) Temperature (NMR Spectroscopy) [°C]

24.84

Frequency (NMR Spectroscopy) [MHz]

61.4

Reaxys ID 26779722 View in Reaxys

152/172 C9H16O2 (18)O2

H 18O

Linear Structure Formula: Molecular Formula: C9H16O4 Molecular Weight: 192.225 InChI Key: BDJRBEYXGGNYIS-FUJLXYBQSA-N Note:

18OH

Mass Spectrometry (1) Description (Mass Location Spectrometry) electrospray ioni- supporting inforsation (ESI); time- mation of-flight mass spectra (TOFMS); liquid chromatography mass spectrometry (LCMS); spectrum

References Kulik, Anna; Martin, Andreas; Pohl, Marga-Martina; Fischer, Christine; Koeckritz, Angela; Green Chemistry; vol. 16; nb. 4; (2014); p. 1799 - 1806, View in Reaxys

Reaxys ID 26779723 View in Reaxys

153/172

H 18O

C9H16O(18)O3

Linear Structure Formula: Molecular Formula: C9H16O4 Molecular Weight: 194.225

18OH 18O

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InChI Key: BDJRBEYXGGNYIS-APSJLFKXSA-N Note: Mass Spectrometry (1) Description (Mass Location Spectrometry)

References

electrospray ioni- supporting inforsation (ESI); time- mation of-flight mass spectra (TOFMS); liquid chromatography mass spectrometry (LCMS); spectrum

Kulik, Anna; Martin, Andreas; Pohl, Marga-Martina; Fischer, Christine; Koeckritz, Angela; Green Chemistry; vol. 16; nb. 4; (2014); p. 1799 - 1806, View in Reaxys

Reaxys ID 26779725 View in Reaxys

154/172

H 18O

Linear Structure Formula: C9H16O3 (18)O Molecular Formula: C9H16O4 Molecular Weight: 190.224 InChI Key: BDJRBEYXGGNYIS-HRVHXUPCSA-N Note:

OH O

Mass Spectrometry (1) Description (Mass Location Spectrometry)

References

electrospray ioni- supporting inforsation (ESI); time- mation of-flight mass spectra (TOFMS); liquid chromatography mass spectrometry (LCMS); spectrum

Kulik, Anna; Martin, Andreas; Pohl, Marga-Martina; Fischer, Christine; Koeckritz, Angela; Green Chemistry; vol. 16; nb. 4; (2014); p. 1799 - 1806, View in Reaxys

Reaxys ID 26894786 View in Reaxys H 2N O HO

155/172 NHHN

NH 2

CAS Registry Number: 1610972-98-9 Linear Structure Formula: C24H20N4*C9H16O4 Molecular Formula: C9H16O4*C24H20N4 Molecular Weight: 552.673 InChI Key: GIYHEKOMYATKQE-UHFFFAOYSA-N Note:

O OH

Substance Label (1) Label References 1*6g

Kusukawa, Takahiro; Tanaka, Syugo; Inoue, Kouta; Tetrahedron; vol. 70; nb. 26; (2014); p. 4049 - 4056, View in Reaxys

Transport Phenomena (MCS) (2) 1 of 2

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 25 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 1.27E-10 cm2/s

Partner (Transport Phenomena (MCS))

hexadeuterioacetone; water-d2

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Kusukawa, Takahiro; Tanaka, Syugo; Inoue, Kouta; Tetrahedron; vol. 70; nb. 26; (2014); p. 4049 - 4056, View in Reaxys 2 of 2

Description (Transport Phenomena (MCS))

Diffusion coefficient

Temperature (Transport 25 Phenomena (MCS)) [°C] Comment (Transport Phenomena (MCS))

diffusion coefficient = 1.33E-10 cm2/s

Partner (Transport Phenomena (MCS))

hexadeuterioacetone; water-d2

Kusukawa, Takahiro; Tanaka, Syugo; Inoue, Kouta; Tetrahedron; vol. 70; nb. 26; (2014); p. 4049 - 4056, View in Reaxys NMR Spectroscopy (1) 1 of 1

Description (NMR Spec- Chemical shifts; Spectrum troscopy) Nucleus (NMR Spectroscopy)

Solvents (NMR Spectro- dimethylsulfoxide-d6; water-d2 scopy) Temperature (NMR Spectroscopy) [°C]

24.84

Frequency (NMR Spectroscopy) [MHz]

500

Location

supporting information

Kusukawa, Takahiro; Tanaka, Syugo; Inoue, Kouta; Tetrahedron; vol. 70; nb. 26; (2014); p. 4049 - 4056, View in Reaxys UV/VIS Spectroscopy (1) 1 of 1

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

dimethyl sulfoxide

Location

supporting information

Kusukawa, Takahiro; Tanaka, Syugo; Inoue, Kouta; Tetrahedron; vol. 70; nb. 26; (2014); p. 4049 - 4056, View in Reaxys Fluorescence Spectroscopy (1) Description (Fluo- Location rescence Spectroscopy)

References

Spectrum; Maxima

Kusukawa, Takahiro; Tanaka, Syugo; Inoue, Kouta; Tetrahedron; vol. 70; nb. 26; (2014); p. 4049 - 4056, View in Reaxys

supporting information

Reaxys ID 26920304 View in Reaxys

156/172

3.5 O– H 2O

–

Chemical Name: [(silver)2(3,3′,5,5′-tetramethyl-4,4′-bipyrazole)3(azelate)]*3.5H2O; [Ag2(bpz)3(aze)]*3.5H2O Linear Structure Formula: 3C10H14N4*2Ag(1+)*C9H14O4 (2-)*3.5H O 2 Molecular Formula: 2Ag*C9H14O4*3C10H14N4*3H2O Molecular Weight: 1035.74 InChI Key: NAMYZZAWVINCDB-UHFFFAOYSA-L Note:

Ag+

HN O

NH N

Substance Label (1) Label References

223/239

2016-03-15 06:25:01

Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di; Crystal Growth and Design; vol. 14; nb. 5; (2014); p. 2230 - 2239, View in Reaxys

Density (1) 1 of 1

Density [g·cm-3]

1.357

Measurement Tempera- 24.84 ture [°C] Type (Density)

crystallographic

Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di; Crystal Growth and Design; vol. 14; nb. 5; (2014); p. 2230 - 2239, View in Reaxys Crystal Phase (1) Description (Crys- References tal Phase) Structure of the solid

Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di; Crystal Growth and Design; vol. 14; nb. 5; (2014); p. 2230 - 2239, View in Reaxys

Crystal Property Description (1) Colour & Other References Properties colourless

Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di; Crystal Growth and Design; vol. 14; nb. 5; (2014); p. 2230 - 2239, View in Reaxys

Crystal System (1) Crystal System References Monoclinic

Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di; Crystal Growth and Design; vol. 14; nb. 5; (2014); p. 2230 - 2239, View in Reaxys

Space Group (1) Space Group 15

Comment (Space Group)

References

a = 35.034 Å; b = Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, 10.387 Å; c = Xing-Po; Sun, Di; Crystal Growth and Design; vol. 14; nb. 5; (2014); p. 2230 - 2239, 30.465 Å; β = View in Reaxys 113.813 °; Z = 8; T = 298 K; Method = Single crystal Xray diffraction; atomic positions available

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Intensity of IR bands; Bands

Solvent (IR Spectroscopy)

potassium bromide

Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di; Crystal Growth and Design; vol. 14; nb. 5; (2014); p. 2230 - 2239, View in Reaxys Luminescence Spectroscopy (2) Description (Lumi- References nescence Spectroscopy) Luminescence spectrum

Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di; Crystal Growth and Design; vol. 14; nb. 5; (2014); p. 2230 - 2239, View in Reaxys

Luminescence maximum(a)

Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di; Crystal Growth and Design; vol. 14; nb. 5; (2014); p. 2230 - 2239, View in Reaxys

Reaxys ID 26920312 View in Reaxys

157/172

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–O

Chemical Name: [(silver)2(3,3′,5,5′-tetramethyl-4,4′-bipyrazole)3(azelate)]; [Ag2(bpz)3(aze)] Linear Structure Formula: 3C10H14N4*2Ag(1+)*C9H14O4 (2-) Molecular Formula: 2Ag*C9H14O4*3C10H14N4 Molecular Weight: 972.688 InChI Key: DBNMRMOMOFYNKE-UHFFFAOYSA-L Note:

O– O

2 Ag+ HN 3

NH N

Reaxys ID 27390398 View in Reaxys

158/172 Chemical Name: AS66 Type of Substance: mixture (composition partially given) Composition: Comp. Name: PAM; linoleic Acid; Oleic acid; noctadecanoic acid; linolenic Acid; C 18:3w6; azelaic acid; (5Z,8Z, 11Z,14Z,17Z)-5,8,11,14,17-icosapentaenoic acid; (4Z,7Z,10Z, 13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid Composition: Comp. Conc.: 14 percent; 12 percent; 15 percent; 14 percent; 15 percent; 0.5 percent; 0.5 percent; 14 percent; 15 percent Note:

No Structure

Substance Label (1) Label References Example 9

Patent; AGAIN LIFE ITALIA SRL; BURATTIN, Lodovico; WO2014/135529; (2014); (A1) English, View in Reaxys

Pharmacological Data (2) 1 of 2

Comment (Pharmacological Data)

Bioactivities present

Patent; AGAIN LIFE ITALIA SRL; BURATTIN, Lodovico; WO2014/135529; (2014); (A1) English, View in Reaxys 2 of 2

Comment (Pharmacological Data)

physiological behaviour discussed

Patent; AGAIN LIFE ITALIA SRL; BURATTIN, Lodovico; WO2014/135529; (2014); (A1) English, View in Reaxys

Reaxys ID 27797297 View in Reaxys

159/172 Type of Substance: mixture (composition partially given) Composition: Comp. Name: nonanedioic acid; 3-methylheptanedioic acid Note:

No Structure

Liquid/Solid Systems (MCS) (18) 1 of 18

Description (Liquid/Solid Melting diagram Systems (MCS)) Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys

2 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

66.28

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 69.96percent

225/239

2016-03-15 06:25:01

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 3 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

66.95

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 94.91percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 4 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

67.03

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 79.65percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 5 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

67.23

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 4.99percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 6 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

67.33

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 59.88percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 7 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

68.24

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 50.04percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 8 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

68.67

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 54.71percent

226/239

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Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 9 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

68.77

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 10.12percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 10 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

68.87

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 15.35percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 11 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

69.57

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 39.96percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 12 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

69.95

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 44.86percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 13 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

70.09

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 24.76percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 14 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

70.11

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 19.98percent

227/239

2016-03-15 06:25:01

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 15 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

70.22

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 89.9percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 16 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

70.51

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 74.88percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 17 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

70.84

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 84.71percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 18 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

71.37

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 64.91percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys

Reaxys ID 27797299 View in Reaxys

160/172 Type of Substance: mixture (composition partially given) Composition: Comp. Name: nonanedioic acid; 2,2-dimethylsuccinic acid Note:

No Structure

Liquid/Solid Systems (MCS) (18) 1 of 18

Description (Liquid/Solid Melting diagram Systems (MCS)) Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys

2 of 18

Description (Liquid/Solid Eutectic Systems (MCS))

228/239

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Temperature (Liquid/ Solid Systems (MCS)) [°C]

88.63

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 65.27percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 3 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

89.12

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 69.96percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 4 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

89.13

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 40.3percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 5 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

89.16

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 84.71percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 6 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

89.41

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 45.18percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 7 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

89.43

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 95.31percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 8 of 18

Description (Liquid/Solid Eutectic Systems (MCS))

229/239

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Temperature (Liquid/ Solid Systems (MCS)) [°C]

89.49

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 89.93percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 9 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

90.14

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 75.26percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 10 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

90.4

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 19.91percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 11 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

90.49

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 79.84percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 12 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

90.93

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 49.85percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 13 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

91.62

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 24.85percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 14 of 18

Description (Liquid/Solid Eutectic Systems (MCS))

230/239

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Temperature (Liquid/ Solid Systems (MCS)) [°C]

91.94

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 4.74percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 15 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

92.15

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 10.16percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 16 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

93.84

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 34.73percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 17 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

93.89

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 29.90percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 18 of 18

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

93.94

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 15.12percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys

Reaxys ID 27797300 View in Reaxys

161/172 Type of Substance: mixture (composition partially given) Composition: Comp. Name: nonanedioic acid; meso-2,3-dimethyl-succinic acid Note:

No Structure

Liquid/Solid Systems (MCS) (16) 1 of 16

Description (Liquid/Solid Melting diagram Systems (MCS))

231/239

2016-03-15 06:25:01

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 2 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

77.72

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 5.25percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 3 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

78.18

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 89.96percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 4 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

78.61

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 15.12percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 5 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

79.2

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 85.06percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 6 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

79.78

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 69.96percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 7 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

79.85

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 65.31percent

232/239

2016-03-15 06:25:01

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 8 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

80.51

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 94.13percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 9 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

80.69

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 24.76percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 10 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

81.2

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 19.76percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 11 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

81.21

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 74.5percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 12 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

81.47

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 60.47percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 13 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

81.57

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 30.2percent

233/239

2016-03-15 06:25:01

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 14 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

81.77

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 9.85percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 15 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

82.19

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 35.05percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys 16 of 16

Description (Liquid/Solid Eutectic Systems (MCS)) Temperature (Liquid/ Solid Systems (MCS)) [°C]

82.48

Comment (Liquid/Solid Systems (MCS))

nonanedioic acid 80.3percent

Wang, Tzu-Chi; Chan, Chi-Yang; Journal of Chemical and Engineering Data; vol. 59; nb. 11; (2014); p. 3814 - 3819, View in Reaxys

Reaxys ID 28307286 View in Reaxys

162/172 Chemical Name: methylamine azelate Linear Structure Formula: CH5N*C9H16O4 Molecular Formula: CH5N*C9H16O4 Molecular Weight: 219.281 InChI Key: AJQJLTWKBIZVCO-UHFFFAOYSA-N Note:

OH H 2N O

Boiling Point (1) Boiling Point [°C] 24.84

References Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Enthalpy of Vaporization (1) Enthalpy of VaTemperature (En- References porization thalpy of Vapori[Jmol-1] zation) [°C] 104000

24.84

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Vapour Pressure (1) Vapour Pressure Temperature (Va- Comment (Vapour References [Torr] pour Pressure) Pressure) [°C] 3.22532E-08

24.84

Solid

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

234/239

2016-03-15 06:25:01

Use (1) Laboratory Use and Handling

References

Hygroscopic

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Reaxys ID 28307287 View in Reaxys

163/172 Chemical Name: dimethylaminium azelate; dimethylamine azelate Linear Structure Formula: C2H7N*C9H16O4 Molecular Formula: C2H7N*C9H16O4 Molecular Weight: 233.308 InChI Key: GEZXLKQIVDIXQA-UHFFFAOYSA-N Note:

OH O

N H

Substance Label (1) Label References AZ_DMA

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Boiling Point (1) Boiling Point [°C] 24.84

References Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Enthalpy of Vaporization (1) Enthalpy of VaTemperature (En- References porization thalpy of Vapori[Jmol-1] zation) [°C] 104000

24.84

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Vapour Pressure (1) Vapour Pressure Temperature (Va- Comment (Vapour References [Torr] pour Pressure) Pressure) [°C] 4.20042E-08

24.84

Diagram; Solid

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Mass Spectrometry (1) Description (Mass References Spectrometry) CI (Chemical ioni- Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical zation); spectrum Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys Use (1) Laboratory Use and Handling

References

Hygroscopic

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Reaxys ID 28307288 View in Reaxys

164/172 Chemical Name: trimethylamine azelate Linear Structure Formula: C3H9N*C9H16O4 Molecular Formula: C3H9N*C9H16O4 Molecular Weight: 247.335 InChI Key: NXJVJIDYBVNVBC-UHFFFAOYSA-N Note:

OH N O

235/239

2016-03-15 06:25:01

Boiling Point (1) Boiling Point [°C] 24.84

References Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Enthalpy of Vaporization (1) Enthalpy of VaTemperature (En- References porization thalpy of Vapori[Jmol-1] zation) [°C] 103000

24.84

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Vapour Pressure (1) Vapour Pressure Temperature (Va- Comment (Vapour References [Torr] pour Pressure) Pressure) [°C] 2.0252E-08

24.84

Use (1) Laboratory Use and Handling

References

Hygroscopic

Solid

Lavi, Avi; Segre, Enrico; Gomez-Hernandez, Mario; Zhang, Renyi; Rudich, Yinon; Journal of Physical Chemistry A; vol. 119; nb. 19; (2015); p. 4336 - 4346, View in Reaxys

Reaxys ID 28538977 View in Reaxys

165/172 Chemical Name: cholinium azelate Linear Structure Formula: C5H14NO(1+)*C9H15O4 (1-) Molecular Formula: C5H14NO*C9H15O4 Molecular Weight: 291.388 InChI Key: JJSZEGMHQRZPCP-UHFFFAOYSA-M Note:

O–

HO O

Substance Label (1) Label References g

Tom, Liliana C.; Silva, Nuno H. C. S.; Soares, Hugo R.; Coroadinha, Ana S.; Sadocco, Patrizia; Marrucho, Isabel M.; Freire, Carmen S. R.; Green Chemistry; vol. 17; nb. 8; (2015); p. 4291 - 4299, View in Reaxys

Pharmacological Data (1) 1 of 1

Comment (Pharmacological Data)

physiological behaviour discussed

Reaxys ID 28547685 View in Reaxys

166/172 Type of Substance: mixture (composition completely given) Composition: Comp. Name: N-methyl-1,2-benzoisothiazol-3(2H)-one; azelaic acid Composition: Comp. Conc.: 1 weight percent; 52 weight percent Note:

No Structure

Pharmacological Data (1) 1 of 1

Comment (Pharmacological Data)

physiological behaviour discussed

Patent; DOW GLOBAL TECHNOLOGIES LLC; SIANAWATI, Emerentiana; WO2015/102833; (2015); (A1) English, View in Reaxys

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Reaxys ID 28846461 View in Reaxys

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OH O

NH H 2N

Linear Structure Formula: C9H15 (2)HO4*C2H6N4S Molecular Formula: C2H6N4S*C9H16O4 Molecular Weight: 307.378 InChI Key: BGDWZVBEKHCAJP-DYCDLGHISA-N Note:

S N H

NH 2

Reaxys ID 28846469 View in Reaxys

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OH O

NH H 2N

Chemical Name: 1-(diaminomethylene)thiouron-1-ium hydrogen azelate Linear Structure Formula: C9H16O4*C2H6N4S Molecular Formula: C2H6N4S*C9H16O4 Molecular Weight: 306.386 InChI Key: BGDWZVBEKHCAJP-UHFFFAOYSA-N Note:

S N H

NH 2

Substance Label (1) Label References 7

Janczak, Jan; Crystal Growth and Design; vol. 15; nb. 10; (2015); p. 5097 - 5111, View in Reaxys

Density (1) 1 of 1

Density [g·cm-3]

1.36

Measurement Tempera- 21.84 ture [°C] Type (Density)

crystallographic

Janczak, Jan; Crystal Growth and Design; vol. 15; nb. 10; (2015); p. 5097 - 5111, View in Reaxys Crystal Phase (2) Description (Crys- References tal Phase) Structure of the solid

Janczak, Jan; Crystal Growth and Design; vol. 15; nb. 10; (2015); p. 5097 - 5111, View in Reaxys

Crystal growth

Janczak, Jan; Crystal Growth and Design; vol. 15; nb. 10; (2015); p. 5097 - 5111, View in Reaxys

Crystal Property Description (1) Colour & Other References Properties colourless

Janczak, Jan; Crystal Growth and Design; vol. 15; nb. 10; (2015); p. 5097 - 5111, View in Reaxys

Crystal System (1) Crystal System References Triclinic

Janczak, Jan; Crystal Growth and Design; vol. 15; nb. 10; (2015); p. 5097 - 5111, View in Reaxys

Space Group (1) Space Group 2

Comment (Space Group)

References

a = 5.3064 Å; b = Janczak, Jan; Crystal Growth and Design; vol. 15; nb. 10; (2015); p. 5097 - 5111, 9.9344 Å; c = View in Reaxys 14.382 Å; α = 92.733 °; β = 99.956 °; γ = 93.509 °; Z = 2; T = 295 K; Method = Single crystal Xray diffraction

IR Spectroscopy (1) 1 of 1

Description (IR Spectroscopy)

Near IR (NIR); Spectrum

Janczak, Jan; Crystal Growth and Design; vol. 15; nb. 10; (2015); p. 5097 - 5111, View in Reaxys

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Raman Spectroscopy (1) Description (Ram- References an Spectroscopy) Spectrum; Bands

Janczak, Jan; Crystal Growth and Design; vol. 15; nb. 10; (2015); p. 5097 - 5111, View in Reaxys

Reaxys ID 28901710 View in Reaxys

169/172 Chemical Name: azelaic acid; bisabolol; glycereth-7-trimethyl ether; mandelic acid; niacinamide; PEG-8/SMDI comolymer; phytic acid; triethanolamine; SD alcohol 40B; water; mixture of Type of Substance: mixture (composition partially given) Composition: Comp. Name: MANDELIC ACID; Ins(1,2,3,4,5,6)P6; nicotinamide; triethanolamine; azelaic acid; α-bisabolole; water Note:

No Structure

Pharmacological Data (1) 1 of 1

Location

Paragraph

Comment (Pharmacological Data)

physiological behaviour discussed

Patent; Kulesza, John E.; (10 pag.); US9186310; (2015); (B2) English, View in Reaxys Use (3) Use Pattern

Location

References

Pharmaceuticals

Page/Page column title page; 11-12

Patent; Kulesza, John E.; (10 pag.); US9186310; (2015); (B2) English, View in Reaxys

hyperpigmentation

Page/Page column title page; 11-12

Patent; Kulesza, John E.; (10 pag.); US9186310; (2015); (B2) English, View in Reaxys

to reduce melanin Page/Page collevels in skin umn title page; 11-12

Patent; Kulesza, John E.; (10 pag.); US9186310; (2015); (B2) English, View in Reaxys

Reaxys ID 29048035 View in Reaxys –

170/172 Linear Structure Formula: C38H34N10 (4+)*2C9H14O4 (2-) Molecular Formula: 2C9H14O4*C38H34N10 Molecular Weight: 1003.17 InChI Key: SWCYGCVUDNZOAR-UHFFFAOYSA-L Note:

O–

2 O

N+

N N+

N+

Substance Label (1) Label References 1%4+&*9&2%

Ding, Chen-Jun; Shen, Meng-Jie; Xu, Li-Jin; Gong, Han-Yuan; Tetrahedron; vol. 72; nb. 3; (2016); p. 431 435, View in Reaxys

Mass Spectrometry (1)

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Description (Mass Location Spectrometry)

References

electrospray ioni- supporting inforsation (ESI); spec- mation trum

Ding, Chen-Jun; Shen, Meng-Jie; Xu, Li-Jin; Gong, Han-Yuan; Tetrahedron; vol. 72; nb. 3; (2016); p. 431 - 435, View in Reaxys

Reaxys ID 11324577 View in Reaxys

171/172

OH H 2N

HO O

Chemical Name: niacinamide Azelate Linear Structure Formula: C6H6N2O*C9H16O4 Molecular Formula: C6H6N2O*C9H16O4 Molecular Weight: 310.35 InChI Key: NFSPEJVQHPVXEP-UHFFFAOYSA-N Note:

Reaxys ID 11324578 View in Reaxys

172/172

N HO

Chemical Name: pyridoxine Azelate Linear Structure Formula: C8H11NO3*C9H16O4 Molecular Formula: C8H11NO3*C9H16O4 Molecular Weight: 357.404 InChI Key: BACWKNFINGXATN-UHFFFAOYSA-N Note:

OH O

O HO

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