1.0 2010-04-08 22:05:35 UTC 2025-11-18 22:45:56 UTC FDB002946 Ethyl alpha-linolenate Ethyl alpha-linolenate, also known as linolenic acid, ethyl ester or ethyl (9z,12z,15z)-9,12,15-octadecatrienoate, belongs to lineolic acids and derivatives class of compounds. Those are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Ethyl alpha-linolenate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ethyl alpha-linolenate can be found in sweet marjoram, which makes ethyl alpha-linolenate a potential biomarker for the consumption of this food product. Ethyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate Ethyl (Z,Z,Z)-9,12,15-octadecatrienoate Ethyl alpha-linolenate Ethyl cis,cis,cis-9,12,15-octadecatrienoate C20H34O2 306.4828 306.255880332 ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate ethyl linolenate 1191-41-9 CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5-,9-8-,12-11- JYYFMIOPGOFNPK-AGRJPVHOSA-N belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Lineolic acids and derivatives Organic compounds Lipids and lipid-like molecules Fatty Acyls Lineolic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound long-chain fatty acid ethyl ester logp 6.77 ALOGPS logs -6.83 ALOGPS solubility 4.49e-05 g/l ALOGPS logp 6.56 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate ChemAxon average_mass 306.4828 ChemAxon mono_mass 306.255880332 ChemAxon smiles CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC ChemAxon formula C20H34O2 ChemAxon inchi InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5-,9-8-,12-11- ChemAxon inchikey JYYFMIOPGOFNPK-AGRJPVHOSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 99.15 ChemAxon polarizability 38.57 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1274842 Specdb::MsMs 1274843 Specdb::MsMs 1274844 Specdb::MsMs 1389811 Specdb::MsMs 1389812 Specdb::MsMs 1389813 Specdb::MsMs 3599132 Specdb::MsMs 3599133 Specdb::MsMs 3599134 Specdb::MsMs 3600386 Specdb::MsMs 3600387 Specdb::MsMs 3600388 Sweet marjoram Type 1 specific Origanum majorana 268884