<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 11:57:21 UTC</creation_date>
  <update_date>2026-04-17 15:58:49 UTC</update_date>
  <accession/>
  <common_name>[4S-(4a,4aa,8aß)]-octahydro-4,8a-dimethyl-4a(2H)-naphthol</common_name>
  <class>SmallMolecule</class>
  <description>[4S-(4a,4aa,8aß)]-octahydro-4,8a-dimethyl-4a(2H)-naphthol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This compound has the formula C12H22O1 and an average molecular weight of 182.30 g/mol. It is used industrially as a flavouring and nutrient.

The substance is found in or released from 20 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among three other sources. In the sector of food, food processing and cookware, it is found in food packaging, fermentation processes for beer, molasses and treatment of molasses, the preparation of vinegar, and the preparation of wine or sparkling wine, among one other source. Its presence is also recorded in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. Additionally, it is found in lubricants within the energy, oil and gas sector as well as the industrial manufacturing and chemical processing sector. In the healthcare, pharmaceuticals and veterinary products sector, it is associated with medical devices. One other sector is also recorded. Recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C12H22O1</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>182.1670653</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>19700-21-1</cas_registry_number>
  <smiles>CC1CCCC2(C1(CCCC2)O)C</smiles>
  <inchi>InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1</inchi>
  <inchikey>JLPUXFOGCDVKGO-TUAOUCFPSA-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/>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>182.1670653</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1CCCC2(C1(CCCC2)O)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H22O1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m0/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JLPUXFOGCDVKGO-TUAOUCFPSA-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:0x00007f7277f9b370&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>29746</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
