1.0 2010-04-08 22:08:18 UTC 2025-11-18 23:14:40 UTC FDB008886 Acetolein It is used as a food additive . C25H44O6 440.621 440.313789137 2,3-bis(acetyloxy)propyl octadec-9-enoate 2,3-bis(acetyloxy)propyl octadec-9-enoate 28060-90-4 CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O InChI=1S/C25H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h11-12,24H,4-10,13-21H2,1-3H3 KXLSJQTXSAYFDL-UHFFFAOYSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Triacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives logp 7.18 ALOGPS logs -6.95 ALOGPS solubility 4.92e-05 g/l ALOGPS logp 6.49 ChemAxon pka_strongest_basic -6.5 ChemAxon iupac 2,3-bis(acetyloxy)propyl octadec-9-enoate ChemAxon average_mass 440.621 ChemAxon mono_mass 440.313789137 ChemAxon smiles CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O ChemAxon formula C25H44O6 ChemAxon inchi InChI=1S/C25H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h11-12,24H,4-10,13-21H2,1-3H3 ChemAxon inchikey KXLSJQTXSAYFDL-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 122.73 ChemAxon polarizability 53.41 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 92724 Specdb::MsMs 92725 Specdb::MsMs 92726 Specdb::MsMs 156396 Specdb::MsMs 156397 Specdb::MsMs 156398 Specdb::MsMs 3604795 Specdb::MsMs 3604796 Specdb::MsMs 3604797 Specdb::MsMs 3604798 Specdb::MsMs 3604799 Specdb::MsMs 3604800 Specdb::MsMs 3606140 Specdb::MsMs 3606141 Specdb::MsMs 3606142 acetic mild