<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 02:28:11 UTC</creation_date>
  <update_date>2026-05-14 19:53:55 UTC</update_date>
  <accession/>
  <common_name>ALPHA-TERPINEOL</common_name>
  <class>SmallMolecule</class>
  <description>ALPHA-TERPINEOL (C10H18O) is a compound with an average molecular weight of 154.25 g/mol. ALPHA-TERPINEOL belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. In industrial applications, it is utilized as a fragrance, a flavouring and nutrient, a dye, and a solubility enhancer.

The compound is found in or released from 60 recorded sources across multiple sectors. These include healthcare, pharmaceuticals &amp; veterinary products (medical devices); drinking water &amp; water supply (drinking water); textiles, leather &amp; furnishings (synthetic textiles, carpets and rugs); and food, food processing &amp; cookware (food packaging, food contact materials, cellar tools, fermentation processes for beer, preparation of malt, and 4 more). It is also present in household cleaning &amp; consumer products (bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, pipe accessories, and 6 more) and electrical &amp; electronic equipment (cell phones, capacitors, wires and cables, batteries, printed circuit boards, and 28 more), as well as 3 more sectors. Recorded exposure routes include inhalation, oral, and touch.

Regarding materials, the compound is present in polyethylene terephthalate and high-density polyethylene, while results are inconclusive for poly(ether-sulfone) and polyamide. In terms of health effects, ALPHA-TERPINEOL has a therapeutic effect on inflammation (PMC9583546).</description>
  <categories/>
  <types>
    <type>PFAS</type>
    <type>Phytotoxin</type>
  </types>
  <synonyms>
    <synonym>(L)-alpha-Terpineol</synonym>
    <synonym>Terpineol</synonym>
  </synonyms>
  <chemical_formula>C10H18O</chemical_formula>
  <average_molecular_weight>154.253</average_molecular_weight>
  <monisotopic_moleculate_weight>154.1357652</monisotopic_moleculate_weight>
  <iupac_name>2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol</iupac_name>
  <traditional_iupac>(+)-α-terpineol</traditional_iupac>
  <cas_registry_number>98-55-5</cas_registry_number>
  <smiles>CC1=CCC(CC1)C(C)(C)O</smiles>
  <inchi>InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3</inchi>
  <inchikey>WUOACPNHFRMFPN-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Prenol lipids</class>
    <sub_class>Monoterpenoids</sub_class>
    <direct_parent>Menthane monoterpenoids</direct_parent>
    <alternate_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocyclic monoterpenoids</alternative_parent>
      <alternative_parent>Tertiary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic homomonocyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocyclic monoterpenoid</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>P-menthane monoterpenoid</substituent>
      <substituent>Tertiary alcohol</substituent>
    </substituents>
    <molecular_framework>Aliphatic homomonocyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>Cyclic monoterpenes</descriptor>
      <descriptor>Menthane monoterpenoids</descriptor>
      <descriptor>Menthane monoterpenoids</descriptor>
      <descriptor>alpha-terpineol</descriptor>
    </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>2.17</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.17</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.00</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.56e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>2.17</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>19.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-0.87</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>154.253</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>154.1357652</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=CCC(CC1)C(C)(C)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H18O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>WUOACPNHFRMFPN-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>20.23</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>48.46</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>19.07</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</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:0x00007f7227f81c40&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB15956</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>17100</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>13850142</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
