1.0 2016-06-03 13:01:29 UTC 2026-05-14 19:11:32 UTC propane-1,2,3-triyl trisheptanoate SmallMolecule Propane-1,2,3-triyl trisheptanoate (C24H44O6) is a compound with an average molecular weight of 428.61 g/mol. Propane-1,2,3-triyl trisheptanoate belongs to the triradylcglycerols, a subclass of glycerolipids within the organic compounds. In industrial applications, this substance is used as a surfactant, a viscosity modifier, and a softener and conditioner. It has been recorded in two sources: drinking water and water supply, as well as healthcare, pharmaceuticals & veterinary products specifically related to alimentary tract and metabolism products. The recorded route of exposure for this compound is oral. C24H44O6 428.61 428.313789137 1,3-bis(heptanoyloxy)propan-2-yl heptanoate triheptanoin 620-67-7 CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3 PJHKBYALYHRYSK-UHFFFAOYSA-N Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols 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 Aliphatic acyclic compounds Detected and Not Quantified Triheptanoin Drug Metabolism Action Pathway SMP0144756 logp 6.92 logp 6.42 ALOGPS logs -6.01 ALOGPS solubility 4.15e-04 g/l ALOGPS logp 6.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis(heptanoyloxy)propan-2-yl heptanoate ChemAxon average_mass 428.61 ChemAxon mono_mass 428.313789137 ChemAxon smiles CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC ChemAxon formula C24H44O6 ChemAxon inchi InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3 ChemAxon inchikey PJHKBYALYHRYSK-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 117.06 ChemAxon polarizability 52.67 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7244c0beb8> DB11677 69286 62497