<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">7515</id>
  <title nil="true"/>
  <common-name>2-(L-MENTHOXY)ETHANOL</common-name>
  <description nil="true"/>
  <cas>38618-23-4</cas>
  <pubchem-id>10219851</pubchem-id>
  <chemical-formula>C12H24O2</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-19T02:13:23Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:07:35Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB11174</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H][C@@]1(C)CC[C@@]([H])(C(C)C)[C@@]([H])(C1)OCCO</moldb-smiles>
  <moldb-formula>C12H24O2</moldb-formula>
  <moldb-inchi>InChI=1S/C12H24O2/c1-9(2)11-5-4-10(3)8-12(11)14-7-6-13/h9-13H,4-8H2,1-3H3/t10-,11+,12-/m1/s1</moldb-inchi>
  <moldb-inchikey>FVBGFZNFXUIHNC-GRYCIOLGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">200.322</moldb-average-mass>
  <moldb-mono-mass type="decimal">200.177630013</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.62</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM006410</chemdb-id>
  <dsstox-id>DTXSID80885731</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00072060</susdat-id>
  <iupac>2-{[(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}ethan-1-ol</iupac>
  <moldb-polar-surface-area>29.46</moldb-polar-surface-area>
  <moldb-refractivity>58.488800000000005</moldb-refractivity>
  <moldb-polarizability>24.708584263628012</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>15.120577679405063</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-2.7460593230282253</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>3.11</moldb-alogps-logp>
  <moldb-alogps-logs>-3.14</moldb-alogps-logs>
  <moldb-alogps-solubility>1.44e-01 g/l</moldb-alogps-solubility>
</compound>
