1.0 2016-05-19 02:54:52 UTC 2026-08-24 23:25:24 UTC Terephthalic acid SmallMolecule Terephthalic acid (C8H6O4) is an organic compound with an average molecular weight of 166.13 g/mol. Terephthalic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Industrially, the compound serves as a plasticizer. The substance is associated with ten recorded sources, including food contact materials and drinking water and water supply. It is also found in electrical and electronic equipment, specifically antennas and amplifiers, as well as building and construction materials such as floors, ceilings, fencing, ladders, stairs and ramps, and one additional source. Exposure to the compound occurs through oral, inhalation, and touch routes. Regarding its relationship with plastics, terephthalic acid is used in polyamide and is released in polyethylene terephthalate and polyvinyl chloride. Its presence in polypropylene remains inconclusive. 1,4-Benzenedicarboxylic acid benzene-1,4-dicarboxylic acid C8H6O4 166.1308 166.02660868 benzene-1,4-dicarboxylic acid terephthalic acid 100-21-0 OC(=O)C1=CC=C(C=C1)C(O)=O InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12) KKEYFWRCBNTPAC-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives P-phthalic acid and derivatives Benzoic acids Benzoyl derivatives Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organooxygen compounds Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Para_phthalic_acid Aromatic homomonocyclic compounds benzenedicarboxylic acid Detected and Not Quantified logp 2 logp 1.01 ALOGPS logs -1.86 ALOGPS solubility 2.29e+00 g/l ALOGPS logp 1.29 ChemAxon pka_strongest_acidic 3.32 ChemAxon iupac benzene-1,4-dicarboxylic acid ChemAxon average_mass 166.1308 ChemAxon mono_mass 166.02660868 ChemAxon smiles OC(=O)C1=CC=C(C=C1)C(O)=O ChemAxon formula C8H6O4 ChemAxon inchi InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12) ChemAxon inchikey KKEYFWRCBNTPAC-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 40.57 ChemAxon polarizability 15.2 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baecf49c8> 22416364 7208