<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-31 20:00:50 UTC</creation_date>
  <update_date>2026-08-23 12:40:01 UTC</update_date>
  <accession/>
  <common_name>[(3,3,4,4,5,5,6,6,6‐Nonafluorohexyl)oxy]phosphonic acid</common_name>
  <class>SmallMolecule</class>
  <description>[(3,3,4,4,5,5,6,6,6‐Nonafluorohexyl)oxy]phosphonic acid belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. This organic acid has the chemical formula C6H6F9O4P1 and an average molecular weight of 344.07 g/mol.

The compound is found in or released from 14 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with capacitors, cell phones, printed circuit boards, batteries, wires and cables, and one additional source. Within the food, food processing and cookware sector, it is linked to food contact materials and food packaging. It is also found in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. Other recorded sources include medical devices from the healthcare, pharmaceuticals and veterinary products sector, as well as lubricants used in both industrial manufacturing and chemical processing and the energy, oil and gas sectors. One additional sector is also recorded. Human exposure to this compound occurs through the routes of touch, oral intake, and inhalation.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C6H6F9O4P1</chemical_formula>
  <average_molecular_weight>344.069</average_molecular_weight>
  <monisotopic_moleculate_weight>343.985999</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>150065-76-2</cas_registry_number>
  <smiles>OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C6H6F9O4P/c7-3(8,1-2-19-20(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H2,16,17,18)</inchi>
  <inchikey>BBLFCNLVILKUEU-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>1.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>344.069</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>343.985999</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OP(O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H6F9O4P1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C6H6F9O4P/c7-3(8,1-2-19-20(16,17)18)4(9,10)5(11,12)6(13,14)15/h1-2H2,(H2,16,17,18)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BBLFCNLVILKUEU-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:0x00007f7227e59750&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>101511824</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>95758517</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
    <target>
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  </targets>
</compound>
