1.0 2010-04-08 22:11:38 UTC 2015-07-20 23:14:30 UTC FDB015069 Hexyl crotonate Flavouring agent 2-Butenoic acid, hexyl ester 2-Butenoic acid, hexyl ester, (2E)- 2-Butenoic acid, hexyl ester, (2Z)- 2-Butenoic acid, hexyl ester, (Z)- Crotonic acid, hexyl ester Crotonic acid, hexyl ester, (e)- FEMA 3354 Hexyl (2E)-2-butenoate Hexyl 2-butenoate Hexyl crotonate Hexyl ester(2e)-2-butenoic acid Hexyl ester(2Z)-2-butenoic acid Hexyl ester(e)-crotonic acid Hexyl ester(Z)-2-butenoic acid Hexyl trans-2-butenoate n-Hexyl 2-butenoate C10H18O2 170.2487 170.13067982 hexyl (2Z)-but-2-enoate hexyl (2Z)-but-2-enoate 19089-92-0 CCCCCCOC(=O)\C=C/C InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4- MZNHUHNWGVUEAT-YWEYNIOJSA-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 3.64 ALOGPS logs -3.22 ALOGPS solubility 1.03e-01 g/l ALOGPS logp 3.51 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac hexyl (2Z)-but-2-enoate ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CCCCCCOC(=O)\C=C/C ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h4,8H,3,5-7,9H2,1-2H3/b8-4- ChemAxon inchikey MZNHUHNWGVUEAT-YWEYNIOJSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 50.81 ChemAxon polarizability 20.52 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7198 Specdb::MsIr 7199 Specdb::CMs 16851 Specdb::CMs 169051 Specdb::MsMs 303241 Specdb::MsMs 303242 Specdb::MsMs 303243 Specdb::MsMs 346150 Specdb::MsMs 346151 Specdb::MsMs 346152 Specdb::MsMs 2754229 Specdb::MsMs 2754230 Specdb::MsMs 2754231 Specdb::MsMs 2951574 Specdb::MsMs 2951575 Specdb::MsMs 2951576 HMDB36211 #<Reference:0x000055ce32c63670> caramel green oily radish sweet walnut