<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 06:57:31 UTC</creation_date>
  <update_date>2026-08-27 19:12:45 UTC</update_date>
  <accession/>
  <common_name>Methyl 4-(nonafluorobutyl)cyclohexane-1-carboxylate</common_name>
  <class>SmallMolecule</class>
  <description>Methyl 4-(nonafluorobutyl)cyclohexane-1-carboxylate is an organic compound with the chemical formula C12H13F9O2 and an average molecular weight of 360.22 g/mol. Methyl 4-(nonafluorobutyl)cyclohexane-1-carboxylate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

This substance is associated with 13 recorded sources across various sectors. In the energy, oil and gas, and industrial manufacturing and chemical processing sectors, it is found in lubricants. Within the healthcare, pharmaceuticals and veterinary products sector, it is present in medical devices. It is found in food packaging within the food, food processing and cookware sector. In the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. Furthermore, it is released from electrical and electronic equipment, including batteries, capacitors, printed circuit boards, wires and cables, cell phones, and one additional source. It is also found in one other sector. Recorded routes of exposure for this compound include inhalation, oral ingestion, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C12H13F9O2</chemical_formula>
  <average_molecular_weight>360.22</average_molecular_weight>
  <monisotopic_moleculate_weight>360.0771836</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>88951-14-8</cas_registry_number>
  <smiles>COC(=O)C1CCC(CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C12H13F9O2/c1-23-8(22)6-2-4-7(5-3-6)9(13,14)10(15,16)11(17,18)12(19,20)21/h6-7H,2-5H2,1H3</inchi>
  <inchikey>KBFOWDPRJADBCX-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>4.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>360.22</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>360.0771836</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC(=O)C1CCC(CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H13F9O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H13F9O2/c1-23-8(22)6-2-4-7(5-3-6)9(13,14)10(15,16)11(17,18)12(19,20)21/h6-7H,2-5H2,1H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>KBFOWDPRJADBCX-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:0x00007f72262121c8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>71320864</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
