<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 06:14:07 UTC</creation_date>
  <update_date>2026-09-01 16:59:51 UTC</update_date>
  <accession/>
  <common_name>1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)butan-2-yl 2-methylprop-2-enoate</common_name>
  <class>SmallMolecule</class>
  <description>1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)butan-2-yl 2-methylprop-2-enoate is an organic compound with the formula C9H5F11O2 and an average molecular weight of 354.12 g/mol. 1,1,1,3,3,4,4,4-Octafluoro-2-(trifluoromethyl)butan-2-yl 2-methylprop-2-enoate belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds.

This compound is associated with 13 recorded sources across several sectors. Within Electrical &amp; Electronic Equipment, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also present in textiles, leather &amp; furnishings, specifically in carpets, rugs, and synthetic textiles. In the energy, oil &amp; gas and industrial manufacturing &amp; chemical processing sectors, the compound is used in lubricants. Additional sources include food packaging from the food, food processing &amp; cookware sector and medical devices from the healthcare, pharmaceuticals &amp; veterinary products sector, along with one more sector. Recorded routes of exposure for this substance include touch, oral, and inhalation.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C9H5F11O2</chemical_formula>
  <average_molecular_weight>354.119</average_molecular_weight>
  <monisotopic_moleculate_weight>354.0113898</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>101061-05-6</cas_registry_number>
  <smiles>CC(=C)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C9H5F11O2/c1-3(2)4(21)22-5(7(12,13)14,8(15,16)17)6(10,11)9(18,19)20/h1H2,2H3</inchi>
  <inchikey>ZYEKBRZVGPYUIW-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</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>354.119</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>354.0113898</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(=C)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C9H5F11O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C9H5F11O2/c1-3(2)4(21)22-5(7(12,13)14,8(15,16)17)6(10,11)9(18,19)20/h1H2,2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>ZYEKBRZVGPYUIW-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:0x00007f3baee448a0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>57824176</pubchem_compound_id>
  <chembl_id/>
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</compound>
