1.0 2010-04-08 22:09:37 UTC 2015-07-20 22:40:06 UTC FDB011402 Stearoyllactic acid Emulsifying agent for food products, as Na salt 1-Carboxyethyl stearate Stearoyllactic acid C21H40O4 356.5399 356.292659768 2-(octadecanoyloxy)propanoic acid 2-(octadecanoyloxy)propanoic acid 4253-64-9 CCCCCCCCCCCCCCCCCC(=O)OC(C)C(O)=O InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24/h19H,3-18H2,1-2H3,(H,23,24) QMGGUIASDZZMHS-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 Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 7.86 ALOGPS logs -6.57 ALOGPS solubility 9.53e-05 g/l ALOGPS logp 7.34 ChemAxon pka_strongest_acidic 3.9 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-(octadecanoyloxy)propanoic acid ChemAxon average_mass 356.5399 ChemAxon mono_mass 356.292659768 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)OC(C)C(O)=O ChemAxon formula C21H40O4 ChemAxon inchi InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24/h19H,3-18H2,1-2H3,(H,23,24) ChemAxon inchikey QMGGUIASDZZMHS-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 101.63 ChemAxon polarizability 45.69 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25843 Specdb::CMs 43269 Specdb::CMs 136394 Specdb::CMs 144128 Specdb::MsMs 89334 Specdb::MsMs 89335 Specdb::MsMs 89336 Specdb::MsMs 152244 Specdb::MsMs 152245 Specdb::MsMs 152246 Specdb::MsMs 2817696 Specdb::MsMs 2817697 Specdb::MsMs 2817698 Specdb::MsMs 2887262 Specdb::MsMs 2887263 Specdb::MsMs 2887264 HMDB33372 #<Reference:0x000055ce316f4c58>