<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 14:15:56 UTC</creation_date>
  <update_date>2026-04-17 17:14:57 UTC</update_date>
  <accession/>
  <common_name>Perfluorobutanesulfonate</common_name>
  <class>SmallMolecule</class>
  <description>Perfluorobutanesulfonate is an organic compound with the formula C4F9O3S and an average molecular weight of 299.09 g/mol. Perfluorobutanesulfonate belongs to the alkyl fluorides, a subclass of alkyl halides within the organic compounds.

This compound has been identified in or released from 21 recorded sources across several sectors. Within aquatic systems and sediments, it is found in groundwater, surface water, seawater, and freshwater. It is present in drinking water and water supply sources, including drinking water, tap water, bottled water, and desalinated water. In the sector of wastewater, sanitation, and biosolids, it occurs in industrial wastewater, mine wastewater, wastewater treatment effluent, and unspecified wastewater. Additional sources include appliances, HVAC, and refrigerants, specifically water coolers and water heaters, as well as building and construction materials such as ceilings and waterproofing sprays. It is also recorded in marine, shipping, and aquaculture sources, including bilge water and ballast water, among three other sectors.

Exposure to perfluorobutanesulfonate can occur through inhalation, oral ingestion, and touch. Regarding its presence in plastics, the compound has not been detected in polyamide, polyethylene terephthalate, polypropylene, or polystyrene.</description>
  <categories/>
  <types>
    <type>PMT</type>
  </types>
  <synonyms/>
  <chemical_formula>C4F9O3S</chemical_formula>
  <average_molecular_weight>299.09</average_molecular_weight>
  <monisotopic_moleculate_weight>298.9424438</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>45187-15-3</cas_registry_number>
  <smiles>[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles>
  <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)/p-1</inchi>
  <inchikey>JGTGYHADQMCM-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>299.09</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>298.9424438</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4F9O3S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>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)/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JGTGYHADQMCM-UHFFFAOYSA-M</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3741048</pubchem_compound_id>
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