<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:10:36 UTC</creation_date>
  <update_date>2019-11-26 03:08:11 UTC</update_date>
  <accession>FDB013253</accession>
  <name>Menthanol</name>
  <description>Present in lemon and spearmint oils. Menthanol is found in citrus, fats and oils, and pine nut.</description>
  <synonyms>
    <synonym>&amp;alpha;-dihydroterpineol</synonym>
    <synonym>1-(1-Hydroxy-1-methylethyl)-4-methylcyclohexane</synonym>
    <synonym>1-Methyl-4-isopropylcyclohexane-8-ol</synonym>
    <synonym>2-(4-Methylcyclohexyl)-2-propanol</synonym>
    <synonym>a,a,4-Trimethylcyclohexanemethanol, 9CI</synonym>
    <synonym>alpha -Dihydroterpineol</synonym>
    <synonym>alpha,alpha,4-Trimethyl-cis-cyclohexanemethanol</synonym>
    <synonym>alpha,alpha,4-Trimethyl-cyclohexanemethanol</synonym>
    <synonym>alpha,alpha,4-Trimethyl-trans-cyclohexanemethanol</synonym>
    <synonym>Alpha,alpha,4-trimethylcyclohexanemethanol</synonym>
    <synonym>cis-alpha,alpha,4-Trimethylcyclohexanemethanol</synonym>
    <synonym>Cyclohexanemethanol, alpha,alpha,4-trimethyl-</synonym>
    <synonym>Cyclohexanemethanol, alpha,alpha,4-trimethyl-, cis-</synonym>
    <synonym>Cyclohexanemethanol, alpha,alpha,4-trimethyl-, trans-</synonym>
    <synonym>Dihydro-&amp;alpha;-terpineol</synonym>
    <synonym>Dihydro-a-terpineol</synonym>
    <synonym>dihydro-alpha -Terpineol</synonym>
    <synonym>Dihydro-alpha-terpineol</synonym>
    <synonym>dihydro-Terpineol</synonym>
    <synonym>Menthanol</synonym>
    <synonym>Terpineol, dihydro-</synonym>
    <synonym>trans-(1)-alpha,alpha,4-Trimethylcyclohexanemethanol</synonym>
    <synonym>trans-2-(4-Methylcyclohexyl)isopropanol</synonym>
    <synonym>trans-alpha,alpha,4-Trimethylcyclohexanemethanol</synonym>
    <synonym>trans-p-Menthan-8-ol</synonym>
  </synonyms>
  <chemical_formula>C10H20O</chemical_formula>
  <average_molecular_weight>156.2652</average_molecular_weight>
  <monisotopic_moleculate_weight>156.151415262</monisotopic_moleculate_weight>
  <iupac_name>2-(4-methylcyclohexyl)propan-2-ol</iupac_name>
  <traditional_iupac>2-(4-methylcyclohexyl)propan-2-ol</traditional_iupac>
  <cas_registry_number>498-81-7</cas_registry_number>
  <smiles>CC1CCC(CC1)C(C)(C)O</smiles>
  <inchi>InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3</inchi>
  <inchikey>UODXCYZDMHPIJE-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.</description>
    <direct_parent>Menthane monoterpenoids</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Lipids and lipid-like molecules</super_class>
    <class>Prenol lipids</class>
    <sub_class>Monoterpenoids</sub_class>
    <molecular_framework>Aliphatic homomonocyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocyclic monoterpenoids</alternative_parent>
      <alternative_parent>Tertiary alcohols</alternative_parent>
    </alternative_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>
    <external_descriptors>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>3.54</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.91</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.91e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>2.58</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>19.29</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-0.92</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>2-(4-methylcyclohexyl)propan-2-ol</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>156.2652</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>156.151415262</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>CC1CCC(CC1)C(C)(C)O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C10H20O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/C10H20O/c1-8-4-6-9(7-5-8)10(2,3)11/h8-9,11H,4-7H2,1-3H3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>UODXCYZDMHPIJE-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>47.61</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>19.61</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>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>14591</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>44016</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>151898</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>103500</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>103501</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>103502</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>169554</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>169555</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>169556</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2469181</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2469182</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2469183</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2493422</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2493423</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2493424</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB34717</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x00007f089c321a80&gt;</reference>
  </general_references>
  <foods>
    <food>
      <name>Citrus</name>
      <food_type>Unknown</food_type>
      <category>generic</category>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Fats and oils</name>
      <food_type>Unknown</food_type>
      <category>generic</category>
      <name_scientific/>
      <ncbi_taxonomy_id/>
    </food>
    <food>
      <name>Pine nut</name>
      <food_type>Type 1</food_type>
      <category>specific</category>
      <name_scientific>Pinus</name_scientific>
      <ncbi_taxonomy_id>3337</ncbi_taxonomy_id>
    </food>
  </foods>
  <flavors>
    <flavor>
      <name>lime</name>
    </flavor>
    <flavor>
      <name>pine</name>
    </flavor>
    <flavor>
      <name>sweet</name>
    </flavor>
    <flavor>
      <name>terpenic</name>
    </flavor>
    <flavor>
      <name>woody</name>
    </flavor>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
