1.02010-04-08 22:08:18 UTC2018-05-28 23:20:18 UTCFDB008886AcetoleinIt is used as a food additive .C25H44O6440.621440.3137891372,3-bis(acetyloxy)propyl octadec-9-enoate2,3-bis(acetyloxy)propyl octadec-9-enoate28060-90-4CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=OInChI=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,4-10,13-21H2,1-3H3KXLSJQTXSAYFDL-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.TriacylglycerolsOrganic compoundsLipids and lipid-like moleculesGlycerolipidsTriradylcglycerolsAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersFatty acid estersHydrocarbon derivativesOrganic oxidesTricarboxylic acids and derivativesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterFatty acylHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundTriacyl-sn-glycerolTricarboxylic acid or derivativeslogp7.18logs-6.95solubility4.92e-05 g/llogp6.49pka_strongest_basic-6.5iupac2,3-bis(acetyloxy)propyl octadec-9-enoateaverage_mass440.621mono_mass440.313789137smilesCCCCCCCCC=CCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=OformulaC25H44O6inchiInChI=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,4-10,13-21H2,1-3H3inchikeyKXLSJQTXSAYFDL-UHFFFAOYSA-Npolar_surface_area78.9refractivity122.73polarizability53.41rotatable_bond_count23acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::MsMs92724Specdb::MsMs92725Specdb::MsMs92726Specdb::MsMs156396Specdb::MsMs156397Specdb::MsMs156398Specdb::MsMs3604795Specdb::MsMs3604796Specdb::MsMs3604797Specdb::MsMs3604798Specdb::MsMs3604799Specdb::MsMs3604800Specdb::MsMs3606140Specdb::MsMs3606141Specdb::MsMs3606142aceticmild