1.0 2010-04-08 22:13:54 UTC 2015-07-21 06:30:37 UTC FDB018752 Ethyl 4-decenoate Flavouring ingredient 4-Decenoic acid, ethyl ester 4-Decenoic acid, ethyl ester, (4E)- 4-Decenoic acid, ethyl ester, (E)- Decasilate Ethyl (4E)-4-decenoate ethyl (E)-4-decenoate Ethyl 4-decenoate Ethyl 4E-decenoate Ethyl ester(4e)-4-decenoic acid Ethyl ester(e)-4-decenoic acid Ethyl trans-4-decenoate Ethyl trans-dec-4-enoate FEMA 3642 C12H22O2 198.3019 198.161979948 ethyl (4E)-dec-4-enoate ethyl (4E)-dec-4-enoate 76649-16-6 CCCCC\C=C\CCC(=O)OCC InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+ AWNIQMQADACLCJ-CMDGGOBGSA-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 4.77 ALOGPS logs -4.14 ALOGPS solubility 1.42e-02 g/l ALOGPS logp 3.73 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl (4E)-dec-4-enoate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles CCCCC\C=C\CCC(=O)OCC ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8+ ChemAxon inchikey AWNIQMQADACLCJ-CMDGGOBGSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 60.11 ChemAxon polarizability 24.8 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9893 Specdb::CMs 163307 Specdb::MsIr 8122 Specdb::MsIr 8123 Specdb::MsMs 83331 Specdb::MsMs 83332 Specdb::MsMs 83333 Specdb::MsMs 144912 Specdb::MsMs 144913 Specdb::MsMs 144914 Specdb::MsMs 2713315 Specdb::MsMs 2713316 Specdb::MsMs 2713317 Specdb::MsMs 2965965 Specdb::MsMs 2965966 Specdb::MsMs 2965967 HMDB39220 #<Reference:0x00005612730e11a0> cognac fruity green waxy