1.0 2010-04-08 22:05:39 UTC 2015-07-20 21:51:07 UTC FDB003094 Glycerol triundecanoate Carrier for flavours and fragrances 1,2,3-Propanetriyl undecanoate, 9CI 1,2,3-Triundecanoylglycerol Captex 8227 Glyceryl triundecanoate N-trihendecanoin Propane-1,2,3-triyl triundecanoate Tri-undecanoin Trihendecanoin Triundecanoin Triundecylin Undecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester Undecanoic acid, 1,2,3-propanetriyl ester Undecanoin, tri- C36H68O6 596.9215 596.501589908 1,3-bis(undecanoyloxy)propan-2-yl undecanoate triundecanoin 13552-80-2 CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC InChI=1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3 MBXVIRZWSHICAV-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 9.33 ALOGPS logs -7.62 ALOGPS solubility 1.42e-05 g/l ALOGPS melting_point Mp 31.2° logp 12.26 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis(undecanoyloxy)propan-2-yl undecanoate ChemAxon average_mass 596.9215 ChemAxon mono_mass 596.501589908 ChemAxon smiles CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC ChemAxon formula C36H68O6 ChemAxon inchi InChI=1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3 ChemAxon inchikey MBXVIRZWSHICAV-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 172.28 ChemAxon polarizability 78.21 ChemAxon rotatable_bond_count 35 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 652696 Specdb::MsMs 652697 Specdb::MsMs 652698 Specdb::MsMs 2420478 Specdb::MsMs 2420479 Specdb::MsMs 2420480 Specdb::MsMs 2422884 Specdb::MsMs 2422885 Specdb::MsMs 2422886 Specdb::MsMs 2513060 Specdb::MsMs 2513061 Specdb::MsMs 2513062 Specdb::MsMs 2572760 Specdb::MsMs 2572761 Specdb::MsMs 2572762 Specdb::MsMs 2785474 Specdb::MsMs 2785475 Specdb::MsMs 2785476 HMDB31089 #<Reference:0x000055ce31755440> #<Reference:0x000055ce31755288> #<Reference:0x000055ce317550a8> #<Reference:0x000055ce31754ef0> #<Reference:0x000055ce31754d38> #<Reference:0x000055ce31754b58> #<Reference:0x000055ce317549a0> #<Reference:0x000055ce317547e8> #<Reference:0x000055ce31754630> #<Reference:0x000055ce31754478>