1.0 2010-04-08 22:11:38 UTC 2015-07-20 23:14:29 UTC FDB015068 Dodecyl 2-methylpropanoate Flavouring agent Dodecyl 2-methylpropanoate Dodecyl isobutyrate FEMA 3452 Isobutyric acid, dodecyl ester Isobutyric acid, dodecyl ester (8CI) Lauryl 2-methylpropanoate Lauryl isobutyrate Propanoic acid, 2-methyl-, dodecyl ester C16H32O2 256.4241 256.240230268 dodecyl 2-methylpropanoate dodecyl 2-methylpropanoate 6624-71-1 CCCCCCCCCCCCOC(=O)C(C)C InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3 LDPLLPONRGVDGK-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol 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 alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 6.60 ALOGPS logs -6.14 ALOGPS solubility 1.86e-04 g/l ALOGPS logp 6.05 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac dodecyl 2-methylpropanoate ChemAxon average_mass 256.4241 ChemAxon mono_mass 256.240230268 ChemAxon smiles CCCCCCCCCCCCOC(=O)C(C)C ChemAxon formula C16H32O2 ChemAxon inchi InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h15H,4-14H2,1-3H3 ChemAxon inchikey LDPLLPONRGVDGK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 77.3 ChemAxon polarizability 34.28 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21022 Specdb::CMs 175064 Specdb::MsMs 62922 Specdb::MsMs 62923 Specdb::MsMs 62924 Specdb::MsMs 119760 Specdb::MsMs 119761 Specdb::MsMs 119762 Specdb::MsMs 2260576 Specdb::MsMs 2260577 Specdb::MsMs 2260578 Specdb::MsMs 3078087 Specdb::MsMs 3078088 Specdb::MsMs 3078089 HMDB36210 #<Reference:0x000055ce316c1330> faint fruity