1.0 2016-05-19 03:49:52 UTC 2026-08-22 19:26:37 UTC 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro- SmallMolecule 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro- belongs to the alkyl fluorides, a subclass of alkyl halides within the organic compounds. This organohalogen compound has the formula C4HF9O3S and an average molecular weight of 300.09 g/mol. The compound is found in or released from 42 recorded sources. These include aquatic systems and sediments such as groundwater, surface water, seawater, and freshwater, as well as drinking water and water supply sources including tap water, bottled water, desalinated water, and drinking water. It is also present in wastewater, sanitation, and biosolids, including industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. Additional sources include electrical and electronic equipment—specifically cell phones, capacitors, batteries, printed circuit boards, wires, and cables—as well as building and construction materials such as ceilings, tents or canopies, and waterproofing sprays. Furthermore, it is found in food, food processing, and cookware, including food contact materials and food packaging, among 8 more sectors. Recorded routes of exposure include oral, inhalation, and touch. Health effects associated with 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro- include endometriosis (PMC9908711) and infertility (PMC10720226). PFAS PMT Perfluorobutanesulfonate (PFBS) (anion) C4HF9O3S 300.09 299.950268533 nonafluorobutane-1-sulfonic acid perfluorobutanesulfonic acid 375-73-5 OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16) JGTNAGYHADQMCM-UHFFFAOYSA-N Organic compounds Organohalogen compounds Alkyl halides Alkyl fluorides Perfluoroalkyl sulfonic acid and derivatives Alkanesulfonic acids Hydrocarbon derivatives Organic oxides Organofluorides Organosulfonic acids Sulfonyls Aliphatic acyclic compound Alkanesulfonic acid Hydrocarbon derivative Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organofluoride Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Perfluoroalkyl sulfonic acid or derivatives Sulfonyl Aliphatic acyclic compounds Detected and Not Quantified logp 2.3 logp 2.86 ALOGPS logs -3.20 ALOGPS solubility 1.89e-01 g/l ALOGPS logp 2.63 ChemAxon pka_strongest_acidic -3.3 ChemAxon iupac nonafluorobutane-1-sulfonic acid ChemAxon average_mass 300.09 ChemAxon mono_mass 299.950268533 ChemAxon smiles OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ChemAxon formula C4HF9O3S ChemAxon inchi InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16) ChemAxon inchikey JGTNAGYHADQMCM-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 32.31 ChemAxon polarizability 14.08 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7222efe610> 67815 61132