1.0 2010-04-08 22:07:55 UTC 2019-11-26 03:02:04 UTC FDB008087 Methyl 2E-hexenoate Methyl 2E-hexenoate is a flavouring ingredient. It is found in papaya (Carica spp.), peas and soursop (Annona muricata), pulses, and fruits. 2-Hexenoic acid methyl ester 2-Hexenoic acid, methyl ester FEMA 2709 Methyl (2E)-2-hexenoate Methyl 2-hexenoate Methyl 2E-hexenoic acid Methyl beta-propylacrylate C7H12O2 128.169 128.083729628 methyl (2E)-hex-2-enoate methyl (2E)-hex-2-enoate 2396-77-2 CCC\C=C\C(=O)OC InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+ GFUGBRNILVVWIE-AATRIKPKSA-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 logp 2.26 ALOGPS logs -1.73 ALOGPS solubility 2.41e+00 g/l ALOGPS logp 2.19 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac methyl (2E)-hex-2-enoate ChemAxon average_mass 128.169 ChemAxon mono_mass 128.083729628 ChemAxon smiles CCC\C=C\C(=O)OC ChemAxon formula C7H12O2 ChemAxon inchi InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+ ChemAxon inchikey GFUGBRNILVVWIE-AATRIKPKSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 36.94 ChemAxon polarizability 14.65 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4524 Specdb::MsIr 4525 Specdb::CMs 12158 Specdb::CMs 131960 Specdb::CMs 139694 Specdb::MsMs 292750 Specdb::MsMs 292751 Specdb::MsMs 292752 Specdb::MsMs 333040 Specdb::MsMs 333041 Specdb::MsMs 333042 Specdb::MsMs 3043417 Specdb::MsMs 3043418 Specdb::MsMs 3043419 Specdb::MsMs 3099571 Specdb::MsMs 3099572 Specdb::MsMs 3099573 Specdb::NmrOneD 164229 Specdb::NmrOneD 164230 Specdb::NmrOneD 164231 Specdb::NmrOneD 164232 Specdb::NmrOneD 164233 Specdb::NmrOneD 164234 Specdb::NmrOneD 164235 Specdb::NmrOneD 164236 Specdb::NmrOneD 164237 Specdb::NmrOneD 164238 Specdb::NmrOneD 164239 Specdb::NmrOneD 164240 Specdb::NmrOneD 164241 Specdb::NmrOneD 164242 Specdb::NmrOneD 164243 Specdb::NmrOneD 164244 Specdb::NmrOneD 164245 Specdb::NmrOneD 164246 Specdb::NmrOneD 164247 Specdb::NmrOneD 164248 HMDB31500 #<Reference:0x000055ce3063ae30> Fruits Unknown generic Papaya Type 1 specific Carica papaya 3649 Pulses Unknown generic earthy fatty fruity green pineapple