1.0 2010-04-08 22:13:10 UTC 2015-07-20 23:39:51 UTC FDB017572 2-Hexenyl isovalerate Flavouring ingredient (2E)-2-Hexenyl 3-methylbutanoate (E)-2-Hexenyl isovalerate (E)-Hex-2-enyl isovalerate 2-Hexenyl isovalerate 3-Methyl-2-hexenyl ester(e)-butanoic acid Butanoic acid, 3-methyl-, (2E)-2-hexen-1-yl ester Butanoic acid, 3-methyl-, (2E)-2-hexenyl ester Butanoic acid, 3-methyl-, 2-hexenyl ester, (E)- FEMA 3930 Trans-2-hexenyl Isovalerate C11H20O2 184.2753 184.146329884 (2E)-hex-2-en-1-yl 3-methylbutanoate (2E)-hex-2-en-1-yl 3-methylbutanoate 68698-59-9 CCC\C=C\COC(=O)CC(C)C InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+ SAVRWHQEMHIAEB-VOTSOKGWSA-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 3.77 ALOGPS logs -3.23 ALOGPS solubility 1.10e-01 g/l ALOGPS logp 3.36 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2E)-hex-2-en-1-yl 3-methylbutanoate ChemAxon average_mass 184.2753 ChemAxon mono_mass 184.146329884 ChemAxon smiles CCC\C=C\COC(=O)CC(C)C ChemAxon formula C11H20O2 ChemAxon inchi InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+ ChemAxon inchikey SAVRWHQEMHIAEB-VOTSOKGWSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.23 ChemAxon polarizability 22.49 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10491 Specdb::CMs 28378 Specdb::CMs 101950 Specdb::CMs 145940 Specdb::MsIr 7865 Specdb::MsIr 7866 Specdb::MsMs 289126 Specdb::MsMs 289127 Specdb::MsMs 289128 Specdb::MsMs 328459 Specdb::MsMs 328460 Specdb::MsMs 328461 Specdb::MsMs 2776727 Specdb::MsMs 2776728 Specdb::MsMs 2776729 Specdb::MsMs 2901738 Specdb::MsMs 2901739 Specdb::MsMs 2901740 HMDB38274 #<Reference:0x000055ce3349acd0> apple banana grape green pear waxy