1.0 2016-06-03 13:22:59 UTC 2026-08-23 06:27:44 UTC 3-(allyloxy)-2-hydroxypropanesulfonic acid SmallMolecule 3-(allyloxy)-2-hydroxypropanesulfonic acid belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. This organic acid has the chemical formula C6H12O5S and an average molecular weight of 196.22 g/mol. The compound has been detected in or released from 21 recorded sources. Within aquatic systems and sediments, it is found in seawater, freshwater, surface water, and groundwater. It is also present in drinking water and water supply sources, including tap water, bottled water, desalinated water, and drinking water. In the sector of wastewater, sanitation, and biosolids, the compound is identified in mine wastewater, industrial wastewater, wastewater treatment effluent, and unspecified wastewater. Additional sources include agriculture and land management via irrigation water, and marine, shipping, and aquaculture sources such as bilge water and ballast water. Furthermore, it is associated with appliances, HVAC, and refrigerants, specifically water heaters and water coolers, as well as four other sectors. Recorded routes of exposure for this substance include touch, oral, and inhalation. PMT C6H12O5S 196.22 196.04054466 2-hydroxy-3-(prop-2-en-1-yloxy)propane-1-sulfonic acid 2-hydroxy-3-(prop-2-en-1-yloxy)propane-1-sulfonic acid OC(COCC=C)CS(O)(=O)=O InChI=1S/C6H12O5S/c1-2-3-11-4-6(7)5-12(8,9)10/h2,6-7H,1,3-5H2,(H,8,9,10) KOQQKLZTINXBAS-UHFFFAOYSA-N Organic compounds Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives Organosulfonic acids Alkanesulfonic acids Dialkyl ethers Hydrocarbon derivatives Organic oxides Secondary alcohols Sulfonyls Alcohol Aliphatic acyclic compound Alkanesulfonic acid Dialkyl ether Ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Organosulfonic acid Organosulfur compound Secondary alcohol Sulfonyl Aliphatic acyclic compounds Detected and Not Quantified logp -1 logp -1.69 ALOGPS logs -0.61 ALOGPS solubility 4.84e+01 g/l ALOGPS logp -0.75 ChemAxon pka_strongest_acidic -0.97 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 2-hydroxy-3-(prop-2-en-1-yloxy)propane-1-sulfonic acid ChemAxon average_mass 196.22 ChemAxon mono_mass 196.04054466 ChemAxon smiles OC(COCC=C)CS(O)(=O)=O ChemAxon formula C6H12O5S ChemAxon inchi InChI=1S/C6H12O5S/c1-2-3-11-4-6(7)5-12(8,9)10/h2,6-7H,1,3-5H2,(H,8,9,10) ChemAxon inchikey KOQQKLZTINXBAS-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 42.82 ChemAxon polarizability 18.32 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf3239570> 103658 93587