1.0 2016-05-19 03:00:33 UTC 2026-08-24 13:58:34 UTC 1,4-Cyclohexanedicarboxylic acid SmallMolecule 1,4-Cyclohexanedicarboxylic acid (C8H12O4) is an organic compound with an average molecular weight of 172.18 g/mol. 1,4-Cyclohexanedicarboxylic acid belongs to the dicarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. In industrial applications, the compound is used in Polyethylene Terephthalate and is released in Polycarbonate and Polyamide plastics. It is found in or released from 32 recorded sources. These include electrical and electronic equipment such as antennas, amplifiers, coils, auxiliary devices, and communication cables or conductors, among 14 others. Within the category of household cleaning and consumer products, it is associated with soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and tobacco smoke filters. Regarding food, cookware, and food processing, the compound is linked to food contact materials, processing meats, and fermentation processes for beer, as well as the preparation of sparkling wine or wine. Additional sources include drinking water and water supply, as well as building and construction materials such as tents or canopies, stairs and ramps, and ceilings. Recorded exposure routes for this compound include touch, oral, and inhalation. cyclohexane-1,4-dicarboxylic acid C8H12O4 172.18 172.073558866 cyclohexane-1,4-dicarboxylic acid cyclohexane-1,4-dicarboxylic acid 1076-97-7 OC(=O)C1CCC(CC1)C(O)=O InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) PXGZQGDTEZPERC-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Dicarboxylic acids and derivatives Dicarboxylic acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic homomonocyclic compounds Detected and Not Quantified logp 0.5 logp 0.97 ALOGPS logs -0.76 ALOGPS solubility 3.01e+01 g/l ALOGPS logp 1.11 ChemAxon pka_strongest_acidic 3.9 ChemAxon iupac cyclohexane-1,4-dicarboxylic acid ChemAxon average_mass 172.18 ChemAxon mono_mass 172.073558866 ChemAxon smiles OC(=O)C1CCC(CC1)C(O)=O ChemAxon formula C8H12O4 ChemAxon inchi InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12) ChemAxon inchikey PXGZQGDTEZPERC-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 40.09 ChemAxon polarizability 17.11 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:0x00007f3bd0a356e8> 14106 13484