Query Query 1. Query O
Results
Date
1 substances in Reaxys
2016-09-13 03h:00m:37s (EST)
Search as: As drawn, No salts, No mixtures, No isotopes, No charges, No radicals
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Reaxys ID 1697061 View in Reaxys
1/1 CAS Registry Number: 627-08-7 Chemical Name: isopropyl propyl ether; propyl isopropyl ether; 1-isopropoxy-propane; Isopropyl-propyl-aether; 1-(1-methylethoxy)-propane; n-propyl isopropyl ether; n-propyl-isopropylether Linear Structure Formula: C6H14O Molecular Formula: C6H14O Molecular Weight: 102.177 Type of Substance: acyclic InChI Key: JIEJJGMNDWIGBJ-UHFFFAOYSA-N Note:
O
Substance Label (1) Label References 23
Gray, William K.; Smail, Fiona R.; Hitzler, Martin G.; Ross, Stephen K.; Poliakoff, Martyn; Journal of the American Chemical Society; vol. 121; nb. 46; (1999); p. 10711 - 10718, View in Reaxys
Patent-Specific Data (1) Location in Patent References Claim
Patent; Rhone-Poulenc Specialites Chimiques; US4827027; (1989); (A1) English, View in Reaxys; Patent; Hoechst Aktiengesellschaft; US5087725; (1992); (A1) English, View in Reaxys; Patent; Rhone-Poulenc Specialites Chimiques; US4814498; (1989); (A1) English, View in Reaxys; Patent; Texaco Inc.; US4371724; (1983); (A1) English, View in Reaxys
Boiling Point (4) Boiling Point [°C] 79 - 81
Pressure (Boiling Point) [Torr]
References
760
Benedict,D.R. et al.; Synthesis; (1979); p. 428 - 429, View in Reaxys
80.15 - 80.3
Wuyts; Lacourt; Bulletin des Societes Chimiques Belges; vol. 39; (1930); p. 161,165, 172, View in Reaxys
83
Bennett; Philip; Journal of the Chemical Society; (1928); p. 1938, View in Reaxys
82 - 83
Michael; Wilson; Journal fuer Praktische Chemie (Leipzig); vol. <2>64; (1901); p. 107; Chemische Berichte; vol. 39; (1906); p. 2573, View in Reaxys
Refractive Index (3) Refractive Index Wavelength (Refractive Index) [nm]
Temperature (Refractive Index) [°C]
References
1.3775
589
20
Benedict,D.R. et al.; Synthesis; (1979); p. 428 - 429, View in Reaxys
1.3747
589
20
Jurecek et al.; Collection of Czechoslovak Chemical Communications; vol. 25; (1960); p. 1458, View in Reaxys
1.376
589
21
Truchet; Graves; Bulletin de la Societe Chimique de France; vol. <4> 51; (1932); p. 688, View in Reaxys
Density (5) 1 of 5
Density [g·cm-3]
0.7221 - 0.7425
Measurement Temperature [°C]
15 - 35
Obama, Misako; Oodera, Yuichiro; Kohama, Nobuyuki; Yanase, Tomitaka; Salto, Yoshihiro; Kusano, Kazuhito; Journal of Chemical & Engineering Data; vol. 30; nb. 1; (1985); p. 1 - 5, View in Reaxys 2 of 5
Density [g·cm-3]
0.7571
Reference Temperature [°C]
4
Measurement Temperature [°C]
0
Wuyts; Lacourt; Bulletin des Societes Chimiques Belges; vol. 39; (1930); p. 161,165, 172, View in Reaxys 3 of 5
Density [g·cm-3]
0.737
Reference Temperature [°C]
4
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Measurement Temperature [°C]
20
Wuyts; Lacourt; Bulletin des Societes Chimiques Belges; vol. 39; (1930); p. 161,165, 172, View in Reaxys 4 of 5
Density [g·cm-3]
0.7597
Reference Temperature [°C]
4
Measurement Temperature [°C]
0
Bennett; Philip; Journal of the Chemical Society; (1928); p. 1938, View in Reaxys 5 of 5
Density [g·cm-3]
0.7474
Reference Temperature [°C]
4
Measurement Temperature [°C]
12.5
Bennett; Philip; Journal of the Chemical Society; (1928); p. 1938, View in Reaxys Association (MCS) (2) 1 of 2
Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))
CCl4
Partner (Association (MCS))
triphenylmethyl alcohol
Bogunovic, Lj. J.; Dragojevic, M. D.; Ribnikar, S. V.; Mioc, U. B.; Journal of Molecular Structure; vol. 175; (1988); p. 271 - 276, View in Reaxys 2 of 2
Description (Association IR spectrum of the complex (MCS)) Solvent (Association (MCS))
CCl4
Partner (Association (MCS))
triphenylhydroxysilane
Bogunovic, Lj. J.; Dragojevic, M. D.; Ribnikar, S. V.; Mioc, U. B.; Journal of Molecular Structure; vol. 175; (1988); p. 271 - 276, View in Reaxys Azeotropes (MCS) (1) 1 of 1
Azeotropes
ethanol; water
Union Carbide Chem.Co. zit.; bei L.H.Horsley; Azeotropic Data II (=Advances in Chemistry Series Nr.35) <Washington 1962>S.61, View in Reaxys Enthalpy of Vaporization (1) Enthalpy of VaTemperature (Enporization thalpy of Vapori[Jmol-1] zation) [°C] 33950
25
References
Screttas, Constantinos G.; Micha-Screttas, Maria; Journal of Organic Chemistry; vol. 56; nb. 4; (1991); p. 1615 - 1622, View in Reaxys
Further Information (3) Description (Fur- References ther Information) Further information
Bowen; Williams; Journal of the American Chemical Society; vol. 99; (1977); p. 6822,6827, View in Reaxys
Further information
McAdoo; McLafferty; Archives of Mass Spectral Data; vol. 1; (1970); p. 372, View in Reaxys
Further information
Smith; Williams; Journal of the American Chemical Society; vol. 91; (1969); p. 5254,5259, View in Reaxys
Mechanical Properties (2)
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Description (Mechanical Properties)
References
Molar volume
Obama, Misako; Oodera, Yuichiro; Kohama, Nobuyuki; Yanase, Tomitaka; Salto, Yoshihiro; Kusano, Kazuhito; Journal of Chemical & Engineering Data; vol. 30; nb. 1; (1985); p. 1 - 5, View in Reaxys
Viscosity
Stiel; Thodos; AIChE Journal; vol. 8; (1962); p. 229,230,231, View in Reaxys
Solubility (MCS) (8) 1 of 8
Saturation
in pure solvent
Comment (Solubility (MCS))
equation
Jain, Neera; Yalkowsky, Samuel H.; Journal of Pharmaceutical Sciences; vol. 90; nb. 2; (2001); p. 234 - 252, View in Reaxys 2 of 8
Comment (Solubility (MCS))
lineare Bezieh. zw. Verteil.-Koeff. u. W.-Loeslichkeit
Hansch et al.; Journal of Organic Chemistry; vol. 33; (1968); p. 347, View in Reaxys 3 of 8
Temperature (Solubility (MCS)) [°C]
20
Solvent (Solubility (MCS))
aq. H2SO4 (65percent)
Comment (Solubility (MCS))
0.65 part(s) of substance.dissolves in:1 parts of solvent.
Kirrmann; Graves; Bulletin de la Societe Chimique de France; vol. <5> 1; (1934); p. 1494,1496, View in Reaxys 4 of 8
Temperature (Solubility (MCS)) [°C]
20
Solvent (Solubility (MCS))
aq. H2SO4 (82percent)
Comment (Solubility (MCS))
0.81 part(s) of substance.dissolves in:1 parts of solvent.
Kirrmann; Graves; Bulletin de la Societe Chimique de France; vol. <5> 1; (1934); p. 1494,1496, View in Reaxys 5 of 8
Temperature (Solubility (MCS)) [°C]
10
Solvent (Solubility (MCS))
H2O
Comment (Solubility (MCS))
Solubility :0.75 percent.
Bennett; Philip; Journal of the Chemical Society; (1928); p. 1938, View in Reaxys 6 of 8
Temperature (Solubility (MCS)) [°C]
15
Solvent (Solubility (MCS))
H2O
Comment (Solubility (MCS))
Solubility :0.60 percent.
Bennett; Philip; Journal of the Chemical Society; (1928); p. 1938, View in Reaxys 7 of 8
Temperature (Solubility (MCS)) [°C]
20
Solvent (Solubility (MCS))
H2O
Comment (Solubility (MCS))
Solubility :0.51 percent.
Bennett; Philip; Journal of the Chemical Society; (1928); p. 1938, View in Reaxys 8 of 8
Temperature (Solubility (MCS)) [°C]
25
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Solvent (Solubility (MCS))
H2O
Comment (Solubility (MCS))
Solubility :0.47 percent.
Bennett; Philip; Journal of the Chemical Society; (1928); p. 1938, View in Reaxys NMR Spectroscopy (3) 1 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Delseth,C.; Kintzinger,J.-P.; Helvetica Chimica Acta; vol. 61; (1978); p. 1327 - 1334, View in Reaxys 2 of 3
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
17O
Delseth,C.; Kintzinger,J.-P.; Helvetica Chimica Acta; vol. 61; (1978); p. 1327 - 1334, View in Reaxys 3 of 3
Description (NMR Spec- NMR troscopy) Konno,C.; Hikino,H.; Tetrahedron; vol. 32; (1976); p. 325 - 331, View in Reaxys
Mass Spectrometry (2) Description (Mass References Spectrometry) fragmentation pattern; electron impact (EI); spectrum
Bowen, Richard D.; Maccoll, Allan; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 1; (1990); p. 147 - 155, View in Reaxys
Bowen,R.D.; Williams,D.H.; Journal of the American Chemical Society; vol. 99; (1977); p. 6822 - 6828, View in Reaxys; Smith; Williams; Journal of the American Chemical Society; vol. 91; (1969); p. 5254,5259, View in Reaxys; McAdoo; McLafferty; Archives of Mass Spectral Data; vol. 1; (1970); p. 372, View in Reaxys Pharmacological Data (2) 1 of 2
Comment (Pharmacological Data)
Bioactivities present
Delseth,C.; Kintzinger,J.-P.; Helvetica Chimica Acta; vol. 61; (1978); p. 1327 - 1334, View in Reaxys; Bowen,R.D.; Williams,D.H.; Journal of the American Chemical Society; vol. 99; (1977); p. 6822 - 6828, View in Reaxys; Patent; Rhone-Poulenc Specialites Chimiques; US4827027; (1989); (A1) English, View in Reaxys; Konno,C.; Hikino,H.; Tetrahedron; vol. 32; (1976); p. 325 - 331, View in Reaxys; Patent; Hoechst Aktiengesellschaft; US5087725; (1992); (A1) English, View in Reaxys; Benedict,D.R. et al.; Synthesis; (1979); p. 428 - 429, View in Reaxys; Patent; THOMAS SWAN AND CO., LTD.; EP1185492; (2005); (B1) English, View in Reaxys; Patent; BP Chemicals Limited; EP1862443; (2007); (A1) English, View in Reaxys; Bennett; Philip; Journal of the Chemical Society; (1928); p. 1938, View in Reaxys; Michael; Wilson; Journal fuer Praktische Chemie (Leipzig); vol. <2>64; (1901); p. 107; Chemische Berichte; vol. 39; (1906); p. 2573, View in Reaxys; Michael; Wilson; Chemische Berichte; vol. 29; (1896); p. 2575, View in Reaxys; Truchet; Graves; Bulletin de la Societe Chimique de France; vol. <4> 51; (1932); p. 688, View in Reaxys; Wuyts; Lacourt; Bulletin des Societes Chimiques Belges; vol. 39; (1930); p. 161,165, 172, View in Reaxys; Burwell; Fuller; Journal of the American Chemical Society; vol. 79; (1957); p. 2332,2334, View in Reaxys; Union Carbide Chem.Co. zit.; bei L.H.Horsley; Azeotropic Data II (=Advances in Chemistry Series Nr.35) <Washington 1962>S.61, View in Reaxys; Drahowzal; Klamann; Monatshefte fuer Chemie; vol. 82; (1951); p. 588,592, View in Reaxys; Kirrmann; Graves; Bulletin de la Societe Chimique de France; vol. <5> 1; (1934); p. 1494,1496, View in Reaxys; Abboud; Bellon; Comptes Rendus des Seances de l'Academie des Sciences, Serie C: Sciences Chimiques; vol. 276; (1973); p. 233, View in Reaxys; Jurecek et al.; Collection of Czechoslovak Chemical Communications; vol. 25; (1960); p. 1458, View in Reaxys; Bowen; Williams; Journal of the American Chemical Society; vol. 99; (1977); p. 6822,6827, View in Reaxys 2 of 2
Comment (Pharmacological Data)
Bioactivities present
Price; Tumolo; Journal of the American Chemical Society; vol. 86; (1964); p. 4691,4692, 4693, View in Reaxys; Smith; Williams; Journal of the American Chemical Society; vol. 91; (1969); p. 5254,5259, View in Reaxys; McAdoo; McLafferty; Archives of Mass Spectral Data; vol. 1; (1970); p. 372, View in Reaxys; Stiel; Thodos; AIChE Journal; vol. 8; (1962); p. 229,230,231, View in Reaxys; Abboud; Bellon; Annales de Chimie (Cachan, France); vol. 5; nb. 14; (1970); p. 63,64,65,72, View in Reaxys; Hansch et al.; Journal of Organic Chemistry; vol. 33; (1968);
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p. 347, View in Reaxys; Mooney; Qaseem; Chemical Communications (London); (1967); p. 230, View in Reaxys; Bowen, Richard D.; Maccoll, Allan; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999); nb. 1; (1990); p. 147 - 155, View in Reaxys; Screttas, Constantinos G.; Micha-Screttas, Maria; Journal of Organic Chemistry; vol. 56; nb. 4; (1991); p. 1615 - 1622, View in Reaxys; Bellon, Louis; Taft, Robert W.; Abboud, Jose-Luis M.; Journal of Organic Chemistry; vol. 45; nb. 6; (1980); p. 1166 - 1168, View in Reaxys; Obama, Misako; Oodera, Yuichiro; Kohama, Nobuyuki; Yanase, Tomitaka; Salto, Yoshihiro; Kusano, Kazuhito; Journal of Chemical & Engineering Data; vol. 30; nb. 1; (1985); p. 1 - 5, View in Reaxys; Mehta, R. K. S.; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry; vol. 25; (1986); p. 60 - 62, View in Reaxys; Ballantine, James A.; Davies, Mary; Purnell, Howard; Rayanakorn, Mongkon; Thomas, John M.; Williams, Kevin J.; Journal of the Chemical Society, Chemical Communications; nb. 9; (1981); p. 427 - 428, View in Reaxys; Bogunovic, Lj. J.; Dragojevic, M. D.; Ribnikar, S. V.; Mioc, U. B.; Journal of Molecular Structure; vol. 175; (1988); p. 271 - 276, View in Reaxys; Sendega; Makitra; Pirig; Russian Journal of Organic Chemistry; vol. 32; nb. 10; (1996); p. 1438 - 1446, View in Reaxys; Jain, Neera; Yalkowsky, Samuel H.; Journal of Pharmaceutical Sciences; vol. 90; nb. 2; (2001); p. 234 - 252, View in Reaxys; Gray, William K.; Smail, Fiona R.; Hitzler, Martin G.; Ross, Stephen K.; Poliakoff, Martyn; Journal of the American Chemical Society; vol. 121; nb. 46; (1999); p. 10711 - 10718, View in Reaxys; Patent; Rhone-Poulenc Specialites Chimiques; US4814498; (1989); (A1) English, View in Reaxys; Patent; Texaco Inc.; US4371724; (1983); (A1) English, View in Reaxys; S.P.Gupta; Chemical reviews; vol. 89; nb. 8; (1989); p. 1765 - 1800, View in Reaxys Use (1) Use Pattern
References
improved catalytic Patent; BP Chemicals Limited; EP1862443; (2007); (A1) English, View in Reaxys process for the conversion of synthesis gas to alcohols
Copyright © 2016 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
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