1.0 2010-04-08 22:13:10 UTC 2015-07-20 23:39:46 UTC FDB017566 Hexyl 2E-hexenoate Flavouring ingredient 2-Hexenoic acid, hexyl ester 2E-Hexenoic acid hexyl ester FEMA 3692 Hexyl (E)-2-hexenoate Hexyl 2E-hexenoic acid Hexyl ester(e)-2-hexenoic acid Hexyl trans-2-hexenoate C12H22O2 198.3019 198.161979948 hexyl (2E)-hex-2-enoate hexyl (2E)-hex-2-enoate 33855-57-1 CCCCCCOC(=O)\C=C\CCC InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h8,10H,3-7,9,11H2,1-2H3/b10-8+ NGQTTWDHJIMWOI-CSKARUKUSA-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 Enoate esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.75 ALOGPS logs -4.20 ALOGPS solubility 1.24e-02 g/l ALOGPS logp 4.4 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac hexyl (2E)-hex-2-enoate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles CCCCCCOC(=O)\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/h8,10H,3-7,9,11H2,1-2H3/b10-8+ ChemAxon inchikey NGQTTWDHJIMWOI-CSKARUKUSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 60.01 ChemAxon polarizability 24.53 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7855 Specdb::MsIr 7856 Specdb::CMs 22857 Specdb::CMs 159827 Specdb::MsMs 316738 Specdb::MsMs 316739 Specdb::MsMs 316740 Specdb::MsMs 363073 Specdb::MsMs 363074 Specdb::MsMs 363075 Specdb::MsMs 2283031 Specdb::MsMs 2283032 Specdb::MsMs 2283033 Specdb::MsMs 3085246 Specdb::MsMs 3085247 Specdb::MsMs 3085248 HMDB38269 #<Reference:0x000055ce31754a90> fatty fruity green