1.0 2010-04-08 22:09:57 UTC 2019-11-26 03:05:57 UTC FDB012011 Dimethyl succinate Present in roasted filberts. Flavouring ingredient. Dimethyl succinate is found in nuts. Butanedioic acid, 1,4-dimethyl ester Butanedioic acid, dimethyl ester CH3OC(O)CH2CH2C(O)OCH3 DBE-4 DBE-4 dibasic ester Dimethyl butanedioate Dimethyl ester of succinic acid Dimethyl succinate Dimethyl succinic acid Dimethylsuccinate FEMA 2396 Methyl butanedioate Methyl succinate Succinic acid dimethyl ester Succinic acid, dimethyl ester C6H10O4 146.1412 146.057908808 1,4-dimethyl butanedioate dimethyl succinate 106-65-0 COC(=O)CCC(=O)OC InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3 MUXOBHXGJLMRAB-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. Fatty acid methyl esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Dicarboxylic acids and derivatives Hydrocarbon derivatives Methyl esters Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid methyl ester Hydrocarbon derivative Methyl ester Organic oxide Organic oxygen compound Organooxygen compound Liquid logp 0.20 ALOGPS logs -0.34 ALOGPS solubility 6.70e+01 g/l ALOGPS melting_point Mp 19° logp -0.11 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1,4-dimethyl butanedioate ChemAxon average_mass 146.1412 ChemAxon mono_mass 146.057908808 ChemAxon smiles COC(=O)CCC(=O)OC ChemAxon formula C6H10O4 ChemAxon inchi InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3 ChemAxon inchikey MUXOBHXGJLMRAB-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 33.08 ChemAxon polarizability 14.27 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6294 Specdb::MsIr 6295 Specdb::NmrOneD 4428 Specdb::NmrOneD 4546 Specdb::NmrOneD 123178 Specdb::NmrOneD 123179 Specdb::NmrOneD 123180 Specdb::NmrOneD 123181 Specdb::NmrOneD 123182 Specdb::NmrOneD 123183 Specdb::NmrOneD 123184 Specdb::NmrOneD 123185 Specdb::NmrOneD 123186 Specdb::NmrOneD 123187 Specdb::NmrOneD 123188 Specdb::NmrOneD 123189 Specdb::NmrOneD 123190 Specdb::NmrOneD 123191 Specdb::NmrOneD 123192 Specdb::NmrOneD 123193 Specdb::NmrOneD 123194 Specdb::NmrOneD 123195 Specdb::NmrOneD 123196 Specdb::NmrOneD 123197 Specdb::CMs 17549 Specdb::CMs 27152 Specdb::CMs 27365 Specdb::CMs 28159 Specdb::CMs 28173 Specdb::CMs 29062 Specdb::CMs 29374 Specdb::CMs 101411 Specdb::CMs 101412 Specdb::CMs 101413 Specdb::CMs 101414 Specdb::CMs 101415 Specdb::CMs 101416 Specdb::CMs 162059 Specdb::MsMs 60867 Specdb::MsMs 60868 Specdb::MsMs 60869 Specdb::MsMs 117294 Specdb::MsMs 117295 Specdb::MsMs 117296 Specdb::MsMs 2387291 Specdb::MsMs 2387292 Specdb::MsMs 2387293 Specdb::MsMs 2577879 Specdb::MsMs 2577880 Specdb::MsMs 2577881 HMDB33837 #<Reference:0x000055ce305df1e8> Blackberry Type 1 specific Rubus Evergreen blackberry Type 1 specific Rubus laciniatus Nuts Unknown generic floral fruity green sweet