1.0 2016-05-19 03:52:19 UTC 2026-05-14 19:07:41 UTC Sulisobenzone SmallMolecule Sulisobenzone is an organic compound with the chemical formula C14H12O6S and an average molecular weight of 308.30 g/mol. Sulisobenzone belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. Industrially, the compound is utilized as a UV stabilizer and a fragrance. The substance has been identified in 39 recorded sources across various sectors. Within electrical and electronic equipment, it is found in antennas, coils, discharge lamps, electric hearing aids, and electric switches, among eight other items. In the context of water and aquatic systems, it is present in drinking water, tap water, bottled water, and desalinated water, as well as in groundwater, surface water, seawater, and freshwater. It is also detected in wastewater, sanitation, and biosolids, including industrial wastewater, wastewater treatment effluent, mine wastewater, and unspecified wastewater. Furthermore, sulisobenzone is found in household cleaning and consumer products such as bleaching agents, cigar cigarettes, non electric simulated smoking devices, and tobacco smoke filters. In the building and construction sector, it is associated with fencing, roofs, and waterproofing sprays, along with five additional sectors. Recorded exposure routes for this compound include inhalation, oral ingestion, and touch. PMT 5-benzoyl-4-hydroxy-2-methoxybenzene-1-sulfonic acid C14H12O6S 308.3 308.03545928 5-benzoyl-4-hydroxy-2-methoxybenzene-1-sulfonic acid sungard 4065-45-6 COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19) CXVGEDCSTKKODG-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzophenones Benzophenones 1-hydroxy-2-unsubstituted benzenoids 1-sulfo,2-unsubstituted aromatic compounds Alkyl aryl ethers Anisoles Aryl-phenylketones Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Diphenylmethanes Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Organosulfonic acids Phenoxy compounds Sulfonyls Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-sulfo,2-unsubstituted aromatic compound Alkyl aryl ether Anisole Aromatic homomonocyclic compound Aryl ketone Aryl-phenylketone Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Benzophenone Benzoyl Diphenylmethane Ether Hydrocarbon derivative Ketone Methoxybenzene Methoxyphenol Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organooxygen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Phenol Phenol ether Phenoxy compound Sulfonyl Vinylogous acid Aromatic homomonocyclic compounds Detected and Not Quantified logp 2.8 logp 0.39 ALOGPS logs -3.16 ALOGPS solubility 2.14e-01 g/l ALOGPS logp 2.8 ChemAxon pka_strongest_acidic -2.4 ChemAxon pka_strongest_basic -5 ChemAxon iupac 5-benzoyl-4-hydroxy-2-methoxybenzene-1-sulfonic acid ChemAxon average_mass 308.3 ChemAxon mono_mass 308.03545928 ChemAxon smiles COC1=C(C=C(C(=O)C2=CC=CC=C2)C(O)=C1)S(O)(=O)=O ChemAxon formula C14H12O6S ChemAxon inchi InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19) ChemAxon inchikey CXVGEDCSTKKODG-UHFFFAOYSA-N ChemAxon polar_surface_area 100.9 ChemAxon refractivity 75.7 ChemAxon polarizability 29.14 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb396ad20> DB11185 19988 18829