1.0 2010-04-08 22:13:10 UTC 2015-07-20 23:39:55 UTC FDB017577 cis-3-Hexenyl tiglate Flavouring ingredient (E,Z)-2-Methyl-2-butenoic acid 3-hexenyl ester (Z)-3-Hexenyl 2-methylcrotonate 2-Butenoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester, (2E)- 2-Butenoic acid, 2-methyl-, (3Z)-3-hexenyl ester, (2E)- 2-Butenoic acid, 2-methyl-, 3-hexenyl ester, (E,Z)- 2-Methyl-(3Z)-3-hexen-1-yl ester(2e)-2-butenoic acid 2-Methyl-(3Z)-3-hexenyl ester(2e)-2-butenoic acid 2-Methyl-3-hexenyl ester(e,Z)-2-butenoic acid cis-3-Hexenyl tiglate cis-3-Hexenyl-2-methyl-trans-2-butenoate cis-Hex-3-ene-1-yl trans-2-methyl-2-butenoate FEMA 3931 C11H18O2 182.2594 182.13067982 (3Z)-hex-3-en-1-yl (2E)-2-methylbut-2-enoate (3Z)-hex-3-en-1-yl (2E)-2-methylbut-2-enoate 67883-79-8 CC\C=C/CCOC(=O)C(\C)=C\C InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+ JNWQKXUWZWKUAY-JQEGGOPCSA-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 3.56 ALOGPS logs -2.97 ALOGPS solubility 1.97e-01 g/l ALOGPS melting_point <25 oC logp 3.55 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac (3Z)-hex-3-en-1-yl (2E)-2-methylbut-2-enoate ChemAxon average_mass 182.2594 ChemAxon mono_mass 182.13067982 ChemAxon smiles CC\C=C/CCOC(=O)C(\C)=C\C ChemAxon formula C11H18O2 ChemAxon inchi InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6-,10-5+ ChemAxon inchikey JNWQKXUWZWKUAY-JQEGGOPCSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.28 ChemAxon polarizability 21.73 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7875 Specdb::CMs 18706 Specdb::CMs 158491 Specdb::MsMs 104796 Specdb::MsMs 104797 Specdb::MsMs 104798 Specdb::MsMs 171141 Specdb::MsMs 171142 Specdb::MsMs 171143 Specdb::MsMs 2837370 Specdb::MsMs 2837371 Specdb::MsMs 2837372 Specdb::MsMs 2868261 Specdb::MsMs 2868262 Specdb::MsMs 2868263 HMDB38279 #<Reference:0x000055ce32334ba8> banana cortex earthy green herbal vegetable