1.0 2016-06-03 13:26:08 UTC 2026-08-28 06:25:40 UTC oxybis[methylbenzenesulfonic acid] SmallMolecule oxybis[methylbenzenesulfonic acid] is an organic compound with the chemical formula C14H14O7S2 and an average molecular weight of 358.38 g/mol. oxybis[methylbenzenesulfonic acid] belongs to the diphenylethers, a subclass of benzene and substituted derivatives within the organic compounds. This compound has been identified in or released from 19 recorded sources. These include aquatic systems and sediments, specifically groundwater, surface water, seawater, and freshwater. It is also found in drinking water and water supply sources, including tap water, bottled water, and desalinated water. Within the sector of wastewater, sanitation, and biosolids, it appears in industrial wastewater, wastewater treatment effluent, mine wastewater, and unspecified wastewater. Other recorded sources include appliances, HVAC, and refrigerants, such as water coolers and water heaters, as well as marine, shipping, and aquaculture sources, including ballast water and bilge water. Additionally, the compound is present in irrigation water used for agriculture and land management, along with two other sectors. Recorded exposure routes for the compound include inhalation, oral, and touch. PMT C14H14O7S2 358.38 358.018095139 3-methyl-5-(3-methyl-5-sulfophenoxy)benzene-1-sulfonic acid 3-methyl-5-(3-methyl-5-sulfophenoxy)benzenesulfonic acid CC1=CC(OC2=CC(=CC(C)=C2)S(O)(=O)=O)=CC(=C1)S(O)(=O)=O InChI=1S/C14H14O7S2/c1-9-3-11(7-13(5-9)22(15,16)17)21-12-4-10(2)6-14(8-12)23(18,19)20/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20) VGRKMGBGMTUWFI-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Diphenylethers Diphenylethers 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Diarylethers Hydrocarbon derivatives Organic oxides Organosulfonic acids Phenol ethers Phenoxy compounds Sulfonyls Toluenes 1-sulfo,2-unsubstituted aromatic compound Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Diaryl ether Diphenylether Ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organooxygen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Phenol ether Phenoxy compound Sulfonyl Toluene Aromatic homomonocyclic compounds Detected and Not Quantified logp 1.7 logp -1.07 ALOGPS logs -3.37 ALOGPS solubility 1.52e-01 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic -2.8 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 3-methyl-5-(3-methyl-5-sulfophenoxy)benzene-1-sulfonic acid ChemAxon average_mass 358.38 ChemAxon mono_mass 358.018095139 ChemAxon smiles CC1=CC(OC2=CC(=CC(C)=C2)S(O)(=O)=O)=CC(=C1)S(O)(=O)=O ChemAxon formula C14H14O7S2 ChemAxon inchi InChI=1S/C14H14O7S2/c1-9-3-11(7-13(5-9)22(15,16)17)21-12-4-10(2)6-14(8-12)23(18,19)20/h3-8H,1-2H3,(H,15,16,17)(H,18,19,20) ChemAxon inchikey VGRKMGBGMTUWFI-UHFFFAOYSA-N ChemAxon polar_surface_area 117.97 ChemAxon refractivity 83.63 ChemAxon polarizability 33.34 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:0x00007f725d723220> 175399 152843