1.0 2010-04-08 22:08:38 UTC 2025-11-18 23:16:39 UTC FDB009556 2-Heptyl butyrate It is used as a food additive . 1-methylhexyl butanoate 1-Methylhexyl butyrate 2-Heptanol butanoate 2-heptyl butanoate C12H24O2 200.3178 200.177630012 octan-3-yl butanoate octan-3-yl butanoate 39026-94-3 CCCCCC(CC)OC(=O)CCC InChI=1S/C12H24O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h11H,4-10H2,1-3H3 USSKZVIXWTWCGK-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 logp 4.69 ALOGPS logs -3.96 ALOGPS solubility 2.19e-02 g/l ALOGPS logp 4.22 ChemAxon pka_strongest_basic -7 ChemAxon iupac octan-3-yl butanoate ChemAxon average_mass 200.3178 ChemAxon mono_mass 200.177630012 ChemAxon smiles CCCCCC(CC)OC(=O)CCC ChemAxon formula C12H24O2 ChemAxon inchi InChI=1S/C12H24O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h11H,4-10H2,1-3H3 ChemAxon inchikey USSKZVIXWTWCGK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 58.66 ChemAxon polarizability 25.08 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21296 Specdb::CMs 132264 Specdb::CMs 139998 Specdb::MsMs 61374 Specdb::MsMs 61375 Specdb::MsMs 61376 Specdb::MsMs 117897 Specdb::MsMs 117898 Specdb::MsMs 117899 Specdb::MsMs 2370938 Specdb::MsMs 2370939 Specdb::MsMs 2370940 Specdb::MsMs 2568574 Specdb::MsMs 2568575 Specdb::MsMs 2568576 Specdb::MsIr 5263 Specdb::MsIr 5264 HMDB0032310 201659 fruity green vegetable