<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 03:46:59 UTC</creation_date>
  <update_date>2026-08-18 03:02:53 UTC</update_date>
  <accession/>
  <common_name>Terpin</common_name>
  <class>SmallMolecule</class>
  <description>Terpin is an organic compound with the formula C10H20O2 and an average molecular weight of 172.26 g/mol. Terpin belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds. Biologically, it acts as an antioxidant, while its industrial applications include use as a flavouring and nutrient (PMC8955125).

The compound is found in or released from 31 recorded sources. These include drinking water and water supply (drinking water), as well as building and construction materials such as ladders. In the category of food, food processing and cookware, it is associated with food preservation, the preparation of wine or sparkling wine, and fermentation processes for beer. Within household cleaning and consumer products, terpin is found in bleaching agents, pipe accessories, cigar cigarettes, non electric simulated smoking devices, and perfumes within detergents and soaps, among others. Additionally, it is identified in electrical and electronic equipment, including antennas, auxiliary devices, coils, communication cables or conductors, and adjustable resistors, along with 13 more sources. The recorded exposure route for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>cis-p-Menthane-1,8-diol</synonym>
    <synonym>p-menthane-1,8-diol</synonym>
    <synonym>trans-1,8-Terpin</synonym>
    <synonym>trans-p-Menthane-1,8-diol</synonym>
  </synonyms>
  <chemical_formula>C10H20O2</chemical_formula>
  <average_molecular_weight>172.2646</average_molecular_weight>
  <monisotopic_moleculate_weight>172.146329884</monisotopic_moleculate_weight>
  <iupac_name>4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol</iupac_name>
  <traditional_iupac>terpin</traditional_iupac>
  <cas_registry_number>80-53-5</cas_registry_number>
  <smiles>CC(C)(O)C1CCC(C)(O)CC1</smiles>
  <inchi>InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3</inchi>
  <inchikey>RBNWAMSGVWEHFP-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>Cyclic alcohols and derivatives</alternative_parent>
      <alternative_parent>Cyclohexanols</alternative_parent>
      <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>Cyclic alcohol</substituent>
      <substituent>Cyclohexanol</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/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.2</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.85</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-1.32</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>8.31e+00 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.19</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>18.93</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>-0.69</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>172.2646</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>172.146329884</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)(O)C1CCC(C)(O)CC1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C10H20O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RBNWAMSGVWEHFP-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>40.46</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>49.37</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>20.25</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>2</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:0x00007f727b5f0650&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>6651</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>6399</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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  <general_references/>
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</compound>
