1.0 2010-04-08 22:11:03 UTC 2019-11-26 03:09:27 UTC FDB014050 Ethyl (2E,4Z,7Z)-Decatrienoate Found as aroma constituent of fruits such as durian and pears. It is used in food flavouring (as an unspecified mixture of geom. isomers to which the name FEMA 3832 refers). Ethyl (2E,4Z,7Z)-Decatrienoate is found in pomes and fruits. (2E,4Z,7Z)-Decatrienoic acid ethyl ester Ethyl (2E,4Z,7Z)-Decatrienoate FEMA 3832 C12H18O2 194.2701 194.13067982 ethyl (2E,4Z,7Z)-deca-2,4,7-trienoate ethyl (2E,4Z,7Z)-deca-2,4,7-trienoate 142676-19-5 CCOC(=O)\C=C\C=C/C\C=C/CC InChI=1S/C12H18O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h5-6,8-11H,3-4,7H2,1-2H3/b6-5-,9-8-,11-10+ KRCQDQXKPOKJOE-GCTHIBTKSA-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 4.13 ALOGPS logs -3.96 ALOGPS solubility 2.13e-02 g/l ALOGPS logp 3.6 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac ethyl (2E,4Z,7Z)-deca-2,4,7-trienoate ChemAxon average_mass 194.2701 ChemAxon mono_mass 194.13067982 ChemAxon smiles CCOC(=O)\C=C\C=C/C\C=C/CC ChemAxon formula C12H18O2 ChemAxon inchi InChI=1S/C12H18O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h5-6,8-11H,3-4,7H2,1-2H3/b6-5-,9-8-,11-10+ ChemAxon inchikey KRCQDQXKPOKJOE-GCTHIBTKSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 62.32 ChemAxon polarizability 22.4 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25210 Specdb::CMs 157086 Specdb::MsMs 79479 Specdb::MsMs 79480 Specdb::MsMs 79481 Specdb::MsMs 140097 Specdb::MsMs 140098 Specdb::MsMs 140099 Specdb::MsMs 2670366 Specdb::MsMs 2670367 Specdb::MsMs 2670368 Specdb::MsMs 3008410 Specdb::MsMs 3008411 Specdb::MsMs 3008412 Specdb::MsIr 6910 Specdb::MsIr 6911 HMDB35376 #<Reference:0x000055ce32e053e8> Asian pear Type 1 specific Pyrus pyrifolia 3767 Fruits Unknown generic Pomes Unknown generic