<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">125623</id>
  <title nil="true"/>
  <common-name>7-Hydroxy-alpha-thujone</common-name>
  <description>7-Hydroxy-alpha-thujone is an organic compound with the chemical formula C10H16O2 and an average molecular weight of 168.23 g/mol. 7-Hydroxy-alpha-thujone belongs to the monoterpenoids, a subclass of prenol lipids within the organic compounds.

This substance has been identified in or released from 13 recorded sources across several industrial and consumer sectors. Within the electrical and electronic equipment sector, it is associated with capacitors, batteries, cell phones, printed circuit boards, wires and cables, and one additional source. It is found in lubricants used in both energy, oil and gas, as well as industrial manufacturing and chemical processing. Other recorded sources include food packaging in the food, food processing and cookware sector, medical devices in the healthcare, pharmaceuticals and veterinary products sector, and synthetic textiles, carpets and rugs within the textiles, leather and furnishings sector. One additional sector is also recorded. Human exposure to the compound occurs through the routes of inhalation, oral ingestion, and touch.</description>
  <cas>130912-76-4</cas>
  <pubchem-id>11041106</pubchem-id>
  <chemical-formula>C10H16O2</chemical-formula>
  <weight>168.23</weight>
  <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">2026-04-06T09:23:01Z</created-at>
  <updated-at type="dateTime">2026-08-18T02:02:39Z</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 nil="true"/>
  <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 nil="true"/>
  <moldb-formula>C10H16O2</moldb-formula>
  <moldb-inchi>InChI=1S/C10H16O2/c1-6-7-4-10(7,5-8(6)11)9(2,3)12/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m1/s1</moldb-inchi>
  <moldb-inchikey>BWIMEHVFTVSHCC-BRDIYROLSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">168.23</moldb-average-mass>
  <moldb-mono-mass type="decimal">168.1150297</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.7</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>CHEM121516</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00116569</susdat-id>
  <iupac>(1R,4R,5R)-1-(2-hydroxypropan-2-yl)-4-methylbicyclo[3.1.0]hexan-3-one</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Monoterpenoids</subklass>
  <paper-count type="integer">7</paper-count>
  <sync-id>CED0039015</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle type="binary" nil="true" encoding="base64"/>
  <structure-indexed-at type="dateTime" nil="true"/>
</compound>
