1.0 2010-04-08 22:14:38 UTC 2025-11-19 02:26:11 UTC FDB019864 Hexyl 2-methyl-3-pentenoate Flavouring ingredient. Component of *FEMA 3693* together with the 4-methyl isomer 2-Methyl-hexyl ester(e)-3-pentenoic acid 3-maleimidobenzoyl N-hydroxysuccinimide 3-Pentenoic acid, 2-methyl-, hexyl ester 3-Pentenoic acid, 2-methyl-, hexyl ester, (E)- Hexyl (E)-2-methyl-3-pentenoate Hexyl 2-methyl-3-pentenoate Hexyl 2-methylpent-3-en-1-oate C12H22O2 198.3019 198.161979948 hexyl (3Z)-2-methylpent-3-enoate hexyl (3Z)-2-methylpent-3-enoate CCCCCCOC(=O)C(C)\C=C/C InChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,9,11H,4,6-8,10H2,1-3H3/b9-5- BSKRYZBCMPUFRS-UITAMQMPSA-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 4.41 ALOGPS logs -3.77 ALOGPS solubility 3.35e-02 g/l ALOGPS logp 3.91 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac hexyl (3Z)-2-methylpent-3-enoate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles CCCCCCOC(=O)C(C)\C=C/C ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,9,11H,4,6-8,10H2,1-3H3/b9-5- ChemAxon inchikey BSKRYZBCMPUFRS-UITAMQMPSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 60.01 ChemAxon polarizability 24.5 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8709 Specdb::MsIr 8710 Specdb::CMs 24349 Specdb::CMs 171206 Specdb::MsMs 319927 Specdb::MsMs 319928 Specdb::MsMs 319929 Specdb::MsMs 367192 Specdb::MsMs 367193 Specdb::MsMs 367194 Specdb::MsMs 2760886 Specdb::MsMs 2760887 Specdb::MsMs 2760888 Specdb::MsMs 2944791 Specdb::MsMs 2944792 Specdb::MsMs 2944793 HMDB40158 #<Reference:0x000055ce3259fd20> cantaloupe rind fruity green guaiacwood spicy sweet tropical waxy