<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-03 05:28:32 UTC</creation_date>
  <update_date>2026-08-28 03:37:53 UTC</update_date>
  <accession/>
  <common_name>Monoperfluorooctyl itaconate</common_name>
  <class>SmallMolecule</class>
  <description>Monoperfluorooctyl itaconate is a chemical compound with the formula C13H5F17O4. Monoperfluorooctyl itaconate belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 548.15 g/mol, Monoperfluorooctyl itaconate is a heavy molecule.

This compound is associated with 13 recorded sources across various sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is present in textiles, leather and furnishings, specifically in synthetic textiles as well as carpets and rugs. In the energy, oil and gas sector, as well as in industrial manufacturing and chemical processing, it is used in lubricants. Other sources include food packaging within the food, food processing and cookware sector, and medical devices within the healthcare, pharmaceuticals and veterinary products sector. One additional sector is also recorded. Exposure to Monoperfluorooctyl itaconate can occur through inhalation, oral intake, or touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms>
    <synonym>146507-98-4</synonym>
    <synonym>2-Methylene-4-oxo-4-[(perfluorooctyl)oxy]butanoic acid</synonym>
    <synonym>4-(Heptadecafluorooctyl) 2-methylidenebutanedionate</synonym>
    <synonym>4-Perfluorooctyl 2-methylenesuccinate</synonym>
    <synonym>4-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)oxy]-2-methylidene-4-oxobutanoic acid</synonym>
    <synonym>4-[(Heptadecafluorooctyl)oxy]-2-methylene-4-oxobutanoic acid</synonym>
    <synonym>Butanedioic acid, 2-methylene-, 4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) ester</synonym>
    <synonym>MONO-PERFLUOROOCTYL ITACOTE</synonym>
    <synonym>Monoperfluorooctyl itaconate</synonym>
  </synonyms>
  <chemical_formula>C13H5F17O4</chemical_formula>
  <average_molecular_weight>548.152</average_molecular_weight>
  <monisotopic_moleculate_weight>547.991638</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>230295-05-3</cas_registry_number>
  <smiles>OC(=O)C(=C)CC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C13H5F17O4/c1-3(5(32)33)2-4(31)34-13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h1-2H2,(H,32,33)</inchi>
  <inchikey>OHNVFWYDJQNNQO-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Fatty Acyls</class>
    <sub_class>Fatty acids and conjugates</sub_class>
    <direct_parent>Halogenated fatty acids</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl fluorides</alternative_parent>
      <alternative_parent>Branched fatty acids</alternative_parent>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acid esters</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Dicarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Fatty acid esters</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organofluorides</alternative_parent>
      <alternative_parent>Unsaturated fatty acids</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkyl fluoride</substituent>
      <substituent>Alkyl halide</substituent>
      <substituent>Branched fatty acid</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid derivative</substituent>
      <substituent>Carboxylic acid ester</substituent>
      <substituent>Dicarboxylic acid or derivatives</substituent>
      <substituent>Fatty acid ester</substituent>
      <substituent>Halogenated fatty acid</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organofluoride</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Unsaturated fatty acid</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</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>6.1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>548.152</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>547.991638</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC(=O)C(=C)CC(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H5F17O4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H5F17O4/c1-3(5(32)33)2-4(31)34-13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h1-2H2,(H,32,33)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OHNVFWYDJQNNQO-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227e80008&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>2776314</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>2056633</chemspider_id>
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  <targets>
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</compound>
