1.0 2010-04-08 22:06:34 UTC 2025-11-18 22:58:31 UTC FDB005197 Ethyl pentadecanoate Ethyl pentadecanoate is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Ethyl pentadecanoate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ethyl pentadecanoate can be found in coriander, which makes ethyl pentadecanoate a potential biomarker for the consumption of this food product. Ethyl pentadecanoate Ethylpentadecanoate N-pentadecanoic acid ethyl ester Pentadecanoic acid ethyl ester Pentadecanoic acid, ethyl ester C17H34O2 270.4507 270.255880332 ethyl pentadecanoate ethyl pentadecanoate CCCCCCCCCCCCCCC(=O)OCC InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h3-16H2,1-2H3 PTEYJUIKYIKULL-UHFFFAOYSA-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 7.24 ALOGPS logs -6.45 ALOGPS solubility 9.64e-05 g/l ALOGPS logp 6.31 ChemAxon pka_strongest_basic -7 ChemAxon iupac ethyl pentadecanoate ChemAxon average_mass 270.4507 ChemAxon mono_mass 270.255880332 ChemAxon smiles CCCCCCCCCCCCCCC(=O)OCC ChemAxon formula C17H34O2 ChemAxon inchi InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h3-16H2,1-2H3 ChemAxon inchikey PTEYJUIKYIKULL-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 82 ChemAxon polarizability 36.35 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 36042 Specdb::CMs 146280 Specdb::MsMs 84039 Specdb::MsMs 84040 Specdb::MsMs 84041 Specdb::MsMs 145788 Specdb::MsMs 145789 Specdb::MsMs 145790 Specdb::MsMs 3223699 Specdb::MsMs 3223700 Specdb::MsMs 3223701 Specdb::MsMs 3223702 Specdb::MsMs 3223703 Specdb::MsMs 3223704 HMDB0059870 Blackberry Type 1 specific Rubus Coriander Type 1 specific Coriandrum sativum 4047 0.25 0.25 0.25 mg/100 g Evergreen blackberry Type 1 specific Rubus laciniatus