1.0 2010-04-08 22:13:41 UTC 2018-05-29 01:36:24 UTC FDB018390 2-Hexenyl hexanoate It is used as a food additive (2E)-2-Hexenyl hexanoate (E)-2-Hexenyl hexanoate (E)-2-Hexenyl-n-hexanoate (E)-Hex-2-enyl hexanoate 2-Hexenyl ester(e)-hexanoic acid Hexanoic acid, (2E)-2-hexen-1-yl ester Hexanoic acid, (2E)-2-hexenyl ester Hexanoic acid, 2-hexenyl ester, (E)- trans-2-Hexenyl caproate trans-2-Hexenyl hexanoate trans-2-Hexenyl n-hexanoate C12H22O2 198.3019 198.161979948 (2E)-hex-2-en-1-yl hexanoate (2E)-hex-2-en-1-yl hexanoate 53398-86-0 CCCCCC(=O)OC\C=C\CCC InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+ UQPLEMTXCSYMEK-VQHVLOKHSA-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 Liquid logp 4.55 ALOGPS logs -3.98 ALOGPS solubility 2.08e-02 g/l ALOGPS logp 3.96 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2E)-hex-2-en-1-yl hexanoate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles CCCCCC(=O)OC\C=C\CCC ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+ ChemAxon inchikey UQPLEMTXCSYMEK-VQHVLOKHSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 59.88 ChemAxon polarizability 24.9 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18897 Specdb::CMs 131656 Specdb::CMs 139390 Specdb::MsIr 8059 Specdb::MsIr 8060 Specdb::MsMs 92712 Specdb::MsMs 92713 Specdb::MsMs 92714 Specdb::MsMs 156384 Specdb::MsMs 156385 Specdb::MsMs 156386 Specdb::MsMs 2819910 Specdb::MsMs 2819911 Specdb::MsMs 2819912 Specdb::MsMs 2889472 Specdb::MsMs 2889473 Specdb::MsMs 2889474 HMDB38924 #<Reference:0x000055ce325ba198> clean cognac green herbal natural waxy