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化合物简介
Diethyl suberate is one of the volatile components in alcoholic beverages (such as mango wines and Chinese rice wines). Diethyl suberate is also one of the components included in the topical vehicle used to administer Emedastine transdermally.
基本信息
CAS:2050-23-9
中文别名:栓酸二乙酯;栓酸乙酯;1,8-辛二酸乙酯;
英文别名:octanedinoic acid diethyl ester;Octanedioic Acid 1,8-Diethyl Ester;Diethyl Octanedioate;Octandisaeure-diaethylester;Ethyl suberate;SUBERIC ACID DIETHYL ESTER;DIETHYL SUBERATE;Korksaeurediaethylester;Diethyl suberate;Suberic Acid Diethyl Ester;Octanedioic Acid Diethyl Ester;Octanedioic acid, diethyl ester;octanedioic acid diethyl ester;
分子式:C12H22O4
分子量:230.301
精确质量:230.152
Psa:52.6
Logp:2.4532
中文别名:栓酸二乙酯;栓酸乙酯;1,8-辛二酸乙酯;
英文别名:octanedinoic acid diethyl ester;Octanedioic Acid 1,8-Diethyl Ester;Diethyl Octanedioate;Octandisaeure-diaethylester;Ethyl suberate;SUBERIC ACID DIETHYL ESTER;DIETHYL SUBERATE;Korksaeurediaethylester;Diethyl suberate;Suberic Acid Diethyl Ester;Octanedioic Acid Diethyl Ester;Octanedioic acid, diethyl ester;octanedioic acid diethyl ester;
分子式:C12H22O4
分子量:230.301
精确质量:230.152
Psa:52.6
Logp:2.4532
编号系统
EINECS号:218-084-4
PubChem号:24893314
MDL号:MFCD00009217
BRN号:1785500
PubChem号:24893314
MDL号:MFCD00009217
BRN号:1785500
物化性质
外观与性状:无色液体
密度:0.982g/mLat 25°C(lit.)
沸点:282°C(lit.)
熔点:5 °C
闪点:>230°F
折射率:n20/D 1.432(lit.)
蒸汽压:0.00332mmHg at 25°C
密度:0.982g/mLat 25°C(lit.)
沸点:282°C(lit.)
熔点:5 °C
闪点:>230°F
折射率:n20/D 1.432(lit.)
蒸汽压:0.00332mmHg at 25°C
安全信息
安全说明:S22-S24/25
WGK Germany:3
危险类别码:R36/37/38
海关编码:2917190090
危险品标志:Xi
WGK Germany:3
危险类别码:R36/37/38
海关编码:2917190090
危险品标志:Xi
生产方法及用途
合成路线
-
参考文献
Everson, Daniel A.; Jones, Brittany A.; Weix, Daniel J. Journal of the American Chemical Society, 2012 , vol. 134, # 14 p. 6146 - 6159
上游原料
下游产品
图谱
Predict 1H proton NMR
13C NMR : Predict
1H NMR : Predict
13C NMR : in CDCl3
1H NMR : 400 MHz in CDCl3
Raman : 4880 A,200 M,liquid
IR : liquid film















