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2018-02-23 17h:50m:00s (EST)
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Reaxys ID 2575793 View in Reaxys
O
1/1 CAS Registry Number: 6290-24-0 Chemical Name: ethyl 2-ethoxybenzoate; 2-ethoxy benzoic acid ethyl ester; 2-ethoxybenzoic acid ethyl ester; ethyl 2-ethyloxybenzoate; ethyl-o-ethoxybenzoate; 2-ethoxy-benzoic acid ethyl ester; 2-Aethoxy-benzoesaeure-aethylester Linear Structure Formula: C11H14O3 Molecular Formula: C11H14O3 Molecular Weight: 194.23 Type of Substance: isocyclic InChI Key: OUZCDRGUTZLAGO-UHFFFAOYSA-N Note:
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Substance Label (2) Label References 1
Patent; Chester Beijing Science And Technology Co., Ltd.; Peng, Fei; (5 pag.); CN105503586; (2016); (A) Chinese, View in Reaxys
10
Smith, Keith; El-Hiti, Gamal A.; Jayne, Anthony J.; Butters, Michael; Organic and Biomolecular Chemistry; vol. 1; nb. 9; (2003); p. 1560 - 1564, View in Reaxys
Patent-Specific Data (3) References Patent; RNS CO.,LTD.; KIM, Cheong Taek; (16 pag.); US2016/221921; (2016); (A1) English, View in Reaxys Patent; RNS Co., Ltd; Kim, Chung Taek; (22 pag.); KR2015/29273; (2015); (A) Korean, View in Reaxys Patent; Kundu, Tapas Kumar; Balasubramanyam, Karanam; Swaminathan, Vankatesh; US2006/167107; (2006); (A1) English, View in Reaxys Druglikeness (1) 1 of 1
LogP
2.719
H Bond Donors
0
H Bond Acceptors
2
Rotatable Bonds
5
TPSA
35.53
Lipinski Number
4
Veber Number
2
Boiling Point (3) Boiling Point [°C]
Pressure (Boiling Point) [Torr]
References
81
1
Barry, J.; Bram, G.; Decodts, G.; Loupy, A.; Orange, C.; et al.; Synthesis; nb. 1; (1985); p. 40 - 45, View in Reaxys
136
10
Jones; Speakman; Journal of the Chemical Society; (1944); p. 19, View in Reaxys
251
760
Foelsing; Chemische Berichte; vol. 17; (1884); p. 486, View in Reaxys
Density (1) 1 of 1
Density [g·cm-3]
1.1005
Reference Temperature [°C]
4
Measurement Temperature [°C]
20
Goettig; Chemische Berichte; vol. 9; (1876); p. 1474, View in Reaxys Crystal Property Description (1) Colour & Other References Properties yellow
Yu, Yun-Feng; Gao, Jian-Rong; Jiang, Shao-Liang; Han, Liang; Jia, Jian-Hong; Li, Yu-Jin; Asian Journal of Chemistry; vol. 24; nb. 11; (2012); p. 5199 - 5201, View in Reaxys
NMR Spectroscopy (1)
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Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- chloroform-d1 scopy) Frequency (NMR Spectroscopy) [MHz]
500
Yu, Yun-Feng; Gao, Jian-Rong; Jiang, Shao-Liang; Han, Liang; Jia, Jian-Hong; Li, Yu-Jin; Asian Journal of Chemistry; vol. 24; nb. 11; (2012); p. 5199 - 5201, View in Reaxys Mass Spectrometry (3) Description (Mass Location Spectrometry)
References
fast atom bombardment (FAB); spectrum
Paragraph 0108
Patent; RNS CO.,LTD.; KIM, Cheong Taek; (16 pag.); US2016/221921; (2016); (A1) English, View in Reaxys
fast atom bombardment (FAB); spectrum
Paragraph 0117
Patent; RNS Co., Ltd; Kim, Chung Taek; (22 pag.); KR2015/29273; (2015); (A) Korean, View in Reaxys
EI (Electron impact); Spectrum
Yu, Yun-Feng; Gao, Jian-Rong; Jiang, Shao-Liang; Han, Liang; Jia, Jian-Hong; Li, Yu-Jin; Asian Journal of Chemistry; vol. 24; nb. 11; (2012); p. 5199 - 5201, View in Reaxys
Medchem (1) 1 of 1
Substance Effect
Anti-Melanogenesis
Bioassay Category
In Vitro (Efficacy)
Cells/Cell Lines
B16
Substance RN
2575793View in Reaxys
Substance Name
2-ethoxy benzoic acid ethyl ester
Substance Dose
5 μg/ml
Measurement Parameter
% Inhibition
Unit
%
Measurement Object
accumulation
Quantitative value
31
Measurement pX
4.24
Patent; RNS CO.,LTD.; KIM, Cheong Taek; (16 pag.); US2016/221921; (2016); (A1) English, View in Reaxys
Copyright © 2018 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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