1.0 2010-04-08 22:08:15 UTC 2019-11-26 03:03:10 UTC FDB008779 Butyl palmitate Butyl palmitate, also known as N-butyl palmitic acid or hexadecanoic acid, butyl ester, is a member of the class of compounds known as fatty acid esters. Fatty acid esters are carboxylic ester derivatives of a fatty acid. Butyl palmitate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Butyl palmitate can be found in common grape, which makes butyl palmitate a potential biomarker for the consumption of this food product. Butyl ester of hexadecanoic acid Butyl hexadecanoate Butyl palmitate Hexadecanoic acid, butyl ester N-butyl hexadecanoate N-butyl palmitate Palmitic acid, butyl ester Palmitic acid, butyl ester (8CI) C20H40O2 312.5304 312.302830524 butyl hexadecanoate butyl palmitate 111-06-8 CCCCCCCCCCCCCCCC(=O)OCCCC InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3 GLYJVQDYLFAUFC-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 liquid logp 8.59 ALOGPS logs -6.99 ALOGPS solubility 3.18e-05 g/l ALOGPS melting_point Mp 16.9° logp 7.73 ChemAxon pka_strongest_basic -7 ChemAxon iupac butyl hexadecanoate ChemAxon average_mass 312.5304 ChemAxon mono_mass 312.302830524 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OCCCC ChemAxon formula C20H40O2 ChemAxon inchi InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3 ChemAxon inchikey GLYJVQDYLFAUFC-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 95.73 ChemAxon polarizability 42.7 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 55611 Specdb::MsMs 55612 Specdb::MsMs 55613 Specdb::MsMs 110802 Specdb::MsMs 110803 Specdb::MsMs 110804 Specdb::MsMs 3604771 Specdb::MsMs 3604772 Specdb::MsMs 3604773 Specdb::MsMs 3604774 Specdb::MsMs 3604775 Specdb::MsMs 3604776 53321 Common grape Type 1 specific Vitis vinifera 29760