1.0 2016-05-22 03:32:09 UTC 2026-05-14 17:46:01 UTC Phthalic acid SmallMolecule Phthalic acid (C8H6O4) is an organic compound with an average molecular weight of 166.13 g/mol. Phthalic acid belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. Biologically, it acts as a toxin (PMC5304209), an antioxidant (PMC6271226), and an inhibitor (PMC13388266, PMC6511314). In industrial contexts, it is used as a flavouring and nutrient (PMC5304209). The compound targets ten proteins, including the progesterone receptor (PGR), estrogen receptor (ESR1), estrogen receptor beta (ESR2), and nicotinate-nucleotide pyrophosphorylase [carboxylating] (nadC). The substance is present in polyvinyl chloride and is released in polypropylene. It is found in or released from 44 recorded sources across several sectors. These include electrical and electronic equipment such as antennas, amplifiers, coils, auxiliary devices, and communication cables or conductors; building and construction materials including roofs, ceilings, stairs and ramps, and sunshades awnings or outside screens; and food, food processing and cookware, specifically food contact materials, food preservation, the processing of meats, the preparation of vinegar, and fermentation processes for beer. Additionally, it is found in drinking water, indoor air, and household cleaning and consumer products such as soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and tobacco smoke filters. Recorded exposure routes include oral, inhalation, and touch. Regarding health effects, phthalic acid is associated with an increase in weight gain (PMC6417117) and obesity (PMC8632231), and it is elevated in the feces of individuals with lung cancer (PMC11734503). Pesticide C8H6O4 166.1308 166.02660868 benzene-1,2-dicarboxylic acid phthalic acid 88-99-3 OC(=O)C1=CC=CC=C1C(O)=O InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) XNGIFLGASWRNHJ-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids 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 Aromatic homomonocyclic compounds benzenedicarboxylic acid Detected and Not Quantified logp 1.29 logp 1.22 ALOGPS logs -1.73 ALOGPS solubility 3.12e+00 g/l ALOGPS logp 1.29 ChemAxon pka_strongest_acidic 2.94 ChemAxon iupac benzene-1,2-dicarboxylic acid ChemAxon average_mass 166.1308 ChemAxon mono_mass 166.02660868 ChemAxon smiles OC(=O)C1=CC=CC=C1C(O)=O ChemAxon formula C8H6O4 ChemAxon inchi InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) ChemAxon inchikey XNGIFLGASWRNHJ-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 40.57 ChemAxon polarizability 14.94 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:0x00007f72442f0fb8> DB02746 1017 992 BE0001336 BE0000123 BE0000557 BE0000792 BE0000071 BE0001007 BE0000215 BE0000412 BE0000078 BE0000707