1.0 2010-04-08 22:11:38 UTC 2015-07-20 23:14:44 UTC FDB015085 2-Propenyl 2,4-hexadienoate Flavouring ingredient (e,e)-2-Propenyl 2,4-hexadienoate 2-Propen-1-yl ester(2e,4e)-2,4-hexadienoic acid 2-Propenyl 2,4-hexadienoate 2-Propenyl 2,4-hexadienoate, (E,E)- 2-Propenyl 2,4-hexadienoate, trans,trans- 2-Propenyl ester(2e,4e)-2,4-hexadienoic acid 2-Propenyl ester(e,e)-2,4-hexadienoic acid 2,4-Hexadienoic acid, 2-propen-1-yl ester, (2E,4E)- 2,4-Hexadienoic acid, 2-propenyl ester 2,4-Hexadienoic acid, 2-propenyl ester, (2E,4E)- 2,4-Hexadienoic acid, 2-propenyl ester, (E,E)- allyl (2E,4E)-2,4-hexadienoate Allyl 2,4-hexadienoate Allyl hexa-2,4-dienoate Allyl hexadienoate Allyl sorbate FEMA 2041 Sorbic acid, allyl ester trans,trans-2-Propenyl 2,4-hexadienoate C9H12O2 152.1904 152.083729628 prop-2-en-1-yl (2E,4E)-hexa-2,4-dienoate prop-2-en-1-yl (2E,4E)-hexa-2,4-dienoate 7493-75-6 C\C=C\C=C\C(=O)OCC=C InChI=1S/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3/b5-3+,7-6+ CVNZYQJBZIJLCL-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 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 2.55 ALOGPS logs -2.70 ALOGPS solubility 3.02e-01 g/l ALOGPS logp 2.56 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac prop-2-en-1-yl (2E,4E)-hexa-2,4-dienoate ChemAxon average_mass 152.1904 ChemAxon mono_mass 152.083729628 ChemAxon smiles C\C=C\C=C\C(=O)OCC=C ChemAxon formula C9H12O2 ChemAxon inchi InChI=1S/C9H12O2/c1-3-5-6-7-9(10)11-8-4-2/h3-7H,2,8H2,1H3/b5-3+,7-6+ ChemAxon inchikey CVNZYQJBZIJLCL-TWTPFVCWSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 47.22 ChemAxon polarizability 17.03 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7216 Specdb::MsIr 7217 Specdb::CMs 20545 Specdb::CMs 29500 Specdb::CMs 101809 Specdb::CMs 133193 Specdb::CMs 140927 Specdb::MsMs 78780 Specdb::MsMs 78781 Specdb::MsMs 78782 Specdb::MsMs 139230 Specdb::MsMs 139231 Specdb::MsMs 139232 Specdb::MsMs 2263531 Specdb::MsMs 2263532 Specdb::MsMs 2263533 Specdb::MsMs 3079446 Specdb::MsMs 3079447 Specdb::MsMs 3079448 HMDB36227 #<Reference:0x000055ce317660b0> fruity pineapple