<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 06:00:18 UTC</creation_date>
  <update_date>2026-08-18 14:26:43 UTC</update_date>
  <accession/>
  <common_name>(2-methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate</common_name>
  <class>SmallMolecule</class>
  <description>(2-methylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate belongs to the alkyl fluorides, a subclass of alkyl halides within the organic compounds. This compound has the chemical formula C11H7F9O3S and an average molecular weight of 390.22 g/mol.

The substance is found in or released from 13 recorded sources across multiple sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is linked to carpets, rugs, and synthetic textiles. Other recorded sources include food packaging from the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is found in lubricants used in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, as well as one other sector. Recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C11H7F9O3S</chemical_formula>
  <average_molecular_weight>390.22</average_molecular_weight>
  <monisotopic_moleculate_weight>389.9972191</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>42096-33-3</cas_registry_number>
  <smiles>CC1=CC=CC=C1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C11H7F9O3S/c1-6-4-2-3-5-7(6)23-24(21,22)11(19,20)9(14,15)8(12,13)10(16,17)18/h2-5H,1H3</inchi>
  <inchikey>WZUNVFIAAJWKIF-UHFFFAOYSA-N</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>
    <property>
      <kind>logp</kind>
      <value>5.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>390.22</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>389.9972191</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=CC=CC=C1OS(=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>C11H7F9O3S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C11H7F9O3S/c1-6-4-2-3-5-7(6)23-24(21,22)11(19,20)9(14,15)8(12,13)10(16,17)18/h2-5H,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WZUNVFIAAJWKIF-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726fbafa20&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>429734</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>380096</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
