1.0 2010-04-08 22:12:25 UTC 2015-07-20 23:29:44 UTC FDB016405 3-Methylbutyl dodecanoate Flavouring ingredient 3-Methylbutyl dodecanoate Dodecanoic acid, 3-methylbutyl ester FEMA 2077 Iso-amyl n-dodecanoate Isoamyl dodecanoate Isoamyl laurate Isopentyl dodecanoate Isopentyl dodecylate Isopentyl laurate Lauric acid, isopentyl ester Lauric acid, isopentyl ester (8CI) C17H34O2 270.4507 270.255880332 3-methylbutyl dodecanoate 3-methylbutyl dodecanoate 6309-51-9 CCCCCCCCCCCC(=O)OCCC(C)C InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3 FVKRIDSRWFEQME-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 Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound fatty acid ester laurate ester logp 6.71 ALOGPS logs -6.36 ALOGPS solubility 1.18e-04 g/l ALOGPS logp 6.24 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-methylbutyl dodecanoate ChemAxon average_mass 270.4507 ChemAxon mono_mass 270.255880332 ChemAxon smiles CCCCCCCCCCCC(=O)OCCC(C)C ChemAxon formula C17H34O2 ChemAxon inchi InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3 ChemAxon inchikey FVKRIDSRWFEQME-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 81.87 ChemAxon polarizability 36.04 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15448 Specdb::CMs 28636 Specdb::CMs 29757 Specdb::CMs 29763 Specdb::CMs 101872 Specdb::CMs 101873 Specdb::CMs 101874 Specdb::CMs 162369 Specdb::MsMs 83175 Specdb::MsMs 83176 Specdb::MsMs 83177 Specdb::MsMs 144711 Specdb::MsMs 144712 Specdb::MsMs 144713 Specdb::MsMs 2836404 Specdb::MsMs 2836405 Specdb::MsMs 2836406 Specdb::MsMs 2872334 Specdb::MsMs 2872335 Specdb::MsMs 2872336 HMDB37372 #<Reference:0x000055ce3180bd58> beer brandy fatty oily peach rum waxy wine