1.0 2016-05-19 03:27:09 UTC 2026-08-21 19:26:06 UTC Octabenzone SmallMolecule Octabenzone is an organic compound with the formula C21H26O3 and an average molecular weight of 326.44 g/mol. Octabenzone belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. In industrial applications, this compound serves as a UV stabilizer, stabilizing agent, fragrance, antioxidant, and heat stabilizer. The compound is utilized in several plastics, including high-density polyethylene, low-density polyethylene, polystyrene, polyvinyl chloride, polyurethane, and acrylonitrile butadiene styrene, and it is present in high impact polystyrene. It is released from polycarbonate, polyamide, polyethylene terephthalate, and polypropylene. Octabenzone is found in or released from 23 recorded sources across multiple sectors. These include electrical and electronic equipment, such as discharge lamps, electric switches, communication cables or conductors, antennas, and electric hearing aids, among seven others. Within building and construction, it is associated with tents or canopies, stairs and ramps, and fencing. In the realm of household cleaning and consumer products, it is found in soap detergents, bleaching agents, and tobacco smoke filters. Other sources include food contact materials and processing fish in the food, food processing and cookware sector, indoor air in the air, dust and atmospheric transport sector, and drinking water in the drinking water and water supply sector. Recorded exposure routes for this compound include oral, inhalation, and touch. 2-benzoyl-5-(octyloxy)phenol C21H26O3 326.436 326.188194697 2-benzoyl-5-(octyloxy)phenol benzophenone 12 1843-05-6 CCCCCCCCOC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3 QUAMTGJKVDWJEQ-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzophenones Benzophenones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aryl-phenylketones Benzoyl derivatives Diphenylmethanes Hydrocarbon derivatives Organic oxides Phenol ethers Phenoxy compounds Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Aromatic homomonocyclic compound Aryl ketone Aryl-phenylketone Benzophenone Benzoyl Diphenylmethane Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Vinylogous acid Aromatic homomonocyclic compounds Detected and Not Quantified logp 6.8 logp 6.12 ALOGPS logs -5.08 ALOGPS solubility 2.72e-03 g/l ALOGPS logp 6.72 ChemAxon pka_strongest_acidic 7.07 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2-benzoyl-5-(octyloxy)phenol ChemAxon average_mass 326.436 ChemAxon mono_mass 326.188194697 ChemAxon smiles CCCCCCCCOC1=CC=C(C(=O)C2=CC=CC=C2)C(O)=C1 ChemAxon formula C21H26O3 ChemAxon inchi InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3 ChemAxon inchikey QUAMTGJKVDWJEQ-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 97.36 ChemAxon polarizability 38.96 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baf9eb550> DB20180 15797 15020