1.0 2010-04-08 22:08:38 UTC 2018-05-28 23:24:17 UTC FDB009560 2,4-Hexadienyl butyrate It is used as a food additive . 2,4-Hexadienol butanoate 2,4-Hexadienol monobutyrate Butanoic acid, 2,4-hexadien-1-yl ester Butanoic acid, 2,4-hexadienyl ester Butyric acid, 2,4-hexadienyl ester Butyric acid, 2,4-hexadienyl ester (8CI) Hexa-2,4-dienyl butyrate Sorbyl butyrate C10H16O2 168.2328 168.115029756 (2E,4E)-hexa-2,4-dien-1-yl butanoate (2E,4E)-hexa-2,4-dien-1-yl butanoate 16930-93-1 CCCC(=O)OC\C=C\C=C\C InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-7H,4,8-9H2,1-2H3/b5-3+,7-6+ PTJGYWXDEDRLPB-TWTPFVCWSA-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 Wax monoesters logp 3.15 ALOGPS logs -2.87 ALOGPS solubility 2.25e-01 g/l ALOGPS logp 2.71 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2E,4E)-hexa-2,4-dien-1-yl butanoate ChemAxon average_mass 168.2328 ChemAxon mono_mass 168.115029756 ChemAxon smiles CCCC(=O)OC\C=C\C=C\C ChemAxon formula C10H16O2 ChemAxon inchi InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-7H,4,8-9H2,1-2H3/b5-3+,7-6+ ChemAxon inchikey PTJGYWXDEDRLPB-TWTPFVCWSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 51.8 ChemAxon polarizability 20.26 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5267 Specdb::MsIr 5268 Specdb::CMs 25506 Specdb::CMs 151106 Specdb::MsMs 82617 Specdb::MsMs 82618 Specdb::MsMs 82619 Specdb::MsMs 144042 Specdb::MsMs 144043 Specdb::MsMs 144044 Specdb::MsMs 2325141 Specdb::MsMs 2325142 Specdb::MsMs 2325143 Specdb::MsMs 2610032 Specdb::MsMs 2610033 Specdb::MsMs 2610034 HMDB32312 #<Reference:0x000055ce30bb09a0> cheese dairy fruity green wine