1.0 2010-04-08 22:09:53 UTC 2019-11-26 03:05:41 UTC FDB011888 Glycerol 1,3-didodecanoate 2-decanoate Isolated from cocoa butter. Glycerol 1,3-didodecanoate 2-decanoate is found in cocoa and cocoa products and fats and oils. 2-Caprinyldilaurin a,a'-Dilaurocaprin Dodecanoic acid 2-[(1-oxodecyl)oxy]-1,3-propanediyl ester, 9CI Glycerol 2-decanoate 1,3-didodecanoate C37H70O6 610.9481 610.517239972 2-(decanoyloxy)-3-(dodecanoyloxy)propyl dodecanoate 2-(decanoyloxy)-3-(dodecanoyloxy)propyl dodecanoate 60138-22-9 CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC InChI=1S/C37H70O6/c1-4-7-10-13-16-18-21-23-26-29-35(38)41-32-34(43-37(40)31-28-25-20-15-12-9-6-3)33-42-36(39)30-27-24-22-19-17-14-11-8-5-2/h34H,4-33H2,1-3H3 NTSSIIDXDVUTDN-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 9.49 ALOGPS logs -7.66 ALOGPS solubility 1.34e-05 g/l ALOGPS melting_point Mp 38.5° logp 12.7 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 2-(decanoyloxy)-3-(dodecanoyloxy)propyl dodecanoate ChemAxon average_mass 610.9481 ChemAxon mono_mass 610.517239972 ChemAxon smiles CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC ChemAxon formula C37H70O6 ChemAxon inchi InChI=1S/C37H70O6/c1-4-7-10-13-16-18-21-23-26-29-35(38)41-32-34(43-37(40)31-28-25-20-15-12-9-6-3)33-42-36(39)30-27-24-22-19-17-14-11-8-5-2/h34H,4-33H2,1-3H3 ChemAxon inchikey NTSSIIDXDVUTDN-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 176.88 ChemAxon polarizability 79.16 ChemAxon rotatable_bond_count 36 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 599626 Specdb::MsMs 599627 Specdb::MsMs 599628 Specdb::MsMs 2274372 Specdb::MsMs 2274373 Specdb::MsMs 2274374 Specdb::MsMs 2351521 Specdb::MsMs 2351522 Specdb::MsMs 2351523 Specdb::MsMs 2584253 Specdb::MsMs 2584254 Specdb::MsMs 2584255 Specdb::MsMs 2891973 Specdb::MsMs 2891974 Specdb::MsMs 2891975 Specdb::MsMs 3026235 Specdb::MsMs 3026236 Specdb::MsMs 3026237 HMDB33753 #<Reference:0x000055ce31778030> Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Fats and oils Unknown generic