1.0 2010-04-08 22:04:41 UTC 2015-07-20 21:33:51 UTC FDB000739 Methyl sorbate Flavouring ingredient (E,E)-2,4-hexadienoic acid methyl ester (e,e)-Methyl 2,4-hexadienoate (e,e)-Methyl sorbate 2-trans-4-trans-Methyl sorbate 2-trans,4-trans-Methyl sorbate 2,4-Hexadienoic acid, methyl ester 2,4-Hexadienoic acid, methyl ester (9CI) 2,4-Hexadienoic acid, methyl ester, (2E,4E)- 2,4-Hexadienoic acid, methyl ester, (E,E)- FEMA 3714 Methyl (2E,4E)-2,4-hexadienoate Methyl (2E,4E)-hexadienoate methyl (E,E)-2,4-hexadienoate Methyl (E,E)-hexa-2,4-dienoate Methyl (e,e)-sorbate Methyl 2,4-hexadienoate Methyl 2,4-hexadienoate, (E,E)- Methyl ester(2e,4e)-2,4-hexadienoic acid Methyl ester(e,e)-2,4-hexadienoic acid Methyl ester(e,e)-sorbic acid Methyl hexa-2,4-dienoate Methyl sorbate Methyl sorbate, (e,e)- Methyl trans,trans-sorbate Sorbic acid, methyl ester Sorbic acid, methyl ester, (e,e)- C7H10O2 126.1531 126.068079564 methyl (2E,4E)-hexa-2,4-dienoate methyl (2E,4E)-hexa-2,4-dienoate 689-89-4 COC(=O)\C=C\C=C\C InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+ KWKVAGQCDSHWFK-VNKDHWASSA-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 Methyl esters 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 Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Liquid logp 1.89 ALOGPS logs -1.88 ALOGPS solubility 1.65e+00 g/l ALOGPS melting_point Mp 5° logp 1.83 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac methyl (2E,4E)-hexa-2,4-dienoate ChemAxon average_mass 126.1531 ChemAxon mono_mass 126.068079564 ChemAxon smiles COC(=O)\C=C\C=C\C ChemAxon formula C7H10O2 ChemAxon inchi InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+ ChemAxon inchikey KWKVAGQCDSHWFK-VNKDHWASSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 38.05 ChemAxon polarizability 14.08 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19865 Specdb::CMs 27296 Specdb::CMs 28055 Specdb::CMs 28231 Specdb::CMs 29498 Specdb::CMs 100325 Specdb::CMs 100326 Specdb::CMs 100327 Specdb::CMs 100328 Specdb::CMs 164875 Specdb::MsIr 3482 Specdb::MsIr 3483 Specdb::MsMs 78648 Specdb::MsMs 78649 Specdb::MsMs 78650 Specdb::MsMs 139050 Specdb::MsMs 139051 Specdb::MsMs 139052 Specdb::MsMs 3049409 Specdb::MsMs 3049410 Specdb::MsMs 3049411 Specdb::MsMs 3117710 Specdb::MsMs 3117711 Specdb::MsMs 3117712 Specdb::NmrOneD 158670 Specdb::NmrOneD 158671 Specdb::NmrOneD 158672 Specdb::NmrOneD 158673 Specdb::NmrOneD 158674 Specdb::NmrOneD 158675 Specdb::NmrOneD 158676 Specdb::NmrOneD 158677 Specdb::NmrOneD 158678 Specdb::NmrOneD 158679 Specdb::NmrOneD 158680 Specdb::NmrOneD 158681 Specdb::NmrOneD 158682 Specdb::NmrOneD 158683 Specdb::NmrOneD 158684 Specdb::NmrOneD 158685 Specdb::NmrOneD 158686 Specdb::NmrOneD 158687 Specdb::NmrOneD 158688 Specdb::NmrOneD 158689 HMDB29582 #<Reference:0x000055ce327b4cc8> fruity licorice pungent