1.0 2010-04-08 22:09:57 UTC 2019-11-26 03:05:58 UTC FDB012012 Diethyl succinate Flavour ingredient Butanedioic acid, diethyl ester Diethyl butanedioate Diethyl butanoate Diethyl ester of butanedioic acid Diethyl succinate Ethyl succinate Succinate diethyl ester Succinic acid, diethyl ester C8H14O4 174.1944 174.089208936 1,4-diethyl butanedioate diethyl succinate 123-25-1 CCOC(=O)CCC(=O)OCC InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3 DKMROQRQHGEIOW-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Liquid logp 1.25 ALOGPS logs -1.02 ALOGPS solubility 1.67e+01 g/l ALOGPS melting_point Mp -21° logp 0.61 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1,4-diethyl butanedioate ChemAxon average_mass 174.1944 ChemAxon mono_mass 174.089208936 ChemAxon smiles CCOC(=O)CCC(=O)OCC ChemAxon formula C8H14O4 ChemAxon inchi InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3 ChemAxon inchikey DKMROQRQHGEIOW-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 42.57 ChemAxon polarizability 18.38 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6296 Specdb::MsIr 6297 Specdb::CMs 3032 Specdb::CMs 27247 Specdb::CMs 27366 Specdb::CMs 27492 Specdb::CMs 29063 Specdb::CMs 29375 Specdb::CMs 101417 Specdb::CMs 101418 Specdb::CMs 101419 Specdb::CMs 101420 Specdb::CMs 101421 Specdb::CMs 161088 Specdb::NmrOneD 4447 Specdb::NmrOneD 4566 Specdb::NmrOneD 123198 Specdb::NmrOneD 123199 Specdb::NmrOneD 123200 Specdb::NmrOneD 123201 Specdb::NmrOneD 123202 Specdb::NmrOneD 123203 Specdb::NmrOneD 123204 Specdb::NmrOneD 123205 Specdb::NmrOneD 123206 Specdb::NmrOneD 123207 Specdb::NmrOneD 123208 Specdb::NmrOneD 123209 Specdb::NmrOneD 123210 Specdb::NmrOneD 123211 Specdb::NmrOneD 123212 Specdb::NmrOneD 123213 Specdb::NmrOneD 123214 Specdb::NmrOneD 123215 Specdb::NmrOneD 123216 Specdb::NmrOneD 123217 Specdb::MsMs 110301 Specdb::MsMs 110302 Specdb::MsMs 110303 Specdb::MsMs 177942 Specdb::MsMs 177943 Specdb::MsMs 177944 Specdb::MsMs 2226194 Specdb::MsMs 2228529 Specdb::MsMs 2228589 Specdb::MsMs 2230839 Specdb::MsMs 2233380 Specdb::MsMs 2235539 Specdb::MsMs 2261719 Specdb::MsMs 2261720 Specdb::MsMs 2261721 Specdb::MsMs 3077358 Specdb::MsMs 3077359 Specdb::MsMs 3077360 HMDB33838 #<Reference:0x0000561271a9da60> Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus Grape wine Type 2 specific 0.0 0.0 0.0 mg/100 g Prickly pear Type 1 specific Opuntia 106975 White wine Type 2 0.14 0.28 0.0 mg/100 g apple apricot chocolate cooked cranberry fruit fruity grape mild musty peach pear wine ylang