1.0 2016-05-19 03:45:44 UTC 2026-08-22 11:17:37 UTC Tris(2-Ethylhexyl) Trimellitate SmallMolecule Tris(2-Ethylhexyl) Trimellitate (C33H54O6) is an organic compound used industrially as a plasticizer, softener, and conditioner. Tris(2-Ethylhexyl) Trimellitate belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 546.79 g/mol, Tris(2-Ethylhexyl) Trimellitate is a heavy molecule. The compound is present in polyamide and is used in polyethylene terephthalate, polystyrene, and acrylonitrile butadiene styrene. It is released from polyvinyl chloride and polypropylene. Recorded sources of this compound include drinking water and indoor air. It is also found in food contact materials, tobacco smoke filters, and tents or canopies. Furthermore, it is associated with electrical and electronic equipment, including magnets, fixed capacitors and their manufacture, emergency protective devices, communication cables or conductors, and colour television systems. Exposure routes for this substance include oral, inhalation, and touch. 1,2,4-Benzenetricarboxylic acid, tris(2-ethylhexyl) ester tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate C33H54O6 546.789 546.392039459 1,2,4-tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate 1,2,4-tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate 3319-31-1 CCCCC(CC)COC(=O)C1=CC(C(=O)OCC(CC)CCCC)=C(C=C1)C(=O)OCC(CC)CCCC InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3 KRADHMIOFJQKEZ-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Organic oxides Organooxygen compounds Tricarboxylic acids and derivatives Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Tricarboxylic acid or derivatives Aromatic homomonocyclic compounds Detected and Not Quantified logp 10.4 logp 8.46 ALOGPS logs -7.40 ALOGPS solubility 2.18e-05 g/l ALOGPS logp 11.05 ChemAxon pka_strongest_basic -6.5 ChemAxon iupac 1,2,4-tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate ChemAxon average_mass 546.789 ChemAxon mono_mass 546.392039459 ChemAxon smiles CCCCC(CC)COC(=O)C1=CC(C(=O)OCC(CC)CCCC)=C(C=C1)C(=O)OCC(CC)CCCC ChemAxon formula C33H54O6 ChemAxon inchi InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3 ChemAxon inchikey KRADHMIOFJQKEZ-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 158.58 ChemAxon polarizability 67.8 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721bfe4608> 18725 17681