<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">103861</id>
  <title nil="true"/>
  <common-name>Benzenemethanol, alpha-methyl-, (R)-</common-name>
  <description>Benzenemethanol, alpha-methyl-, (R)- belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the formula C8H10O and an average molecular weight of 122.17 g/mol. It is found in or released from food, food processing, and cookware via food contact materials, with recorded exposure routes including oral, inhalation, and touch. Regarding its biological activity, the compound has one recorded protein target: R-specific alcohol dehydrogenase (radh).</description>
  <cas>1517-69-7</cas>
  <pubchem-id>637516</pubchem-id>
  <chemical-formula>C8H10O</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">2026-04-05T11:04:28Z</created-at>
  <updated-at type="dateTime">2026-05-14T18:10:22Z</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>DB04784</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>C[C@@H](O)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C8H10O</moldb-formula>
  <moldb-inchi>InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m1/s1</moldb-inchi>
  <moldb-inchikey>WAPNOHKVXSQRPX-SSDOTTSWSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">122.167</moldb-average-mass>
  <moldb-mono-mass type="decimal">122.0731649</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.62</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>CHEM099754</chemdb-id>
  <dsstox-id>DTXSID00164853</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00068411</susdat-id>
  <iupac>(1R)-1-phenylethan-1-ol</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0157321</sync-id>
  <structure-inchikey>WAPNOHKVXSQRPX-SSDOTTSWSA-N</structure-inchikey>
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  <structure-pattern-fingerprint>202000000000000002000000000000004000000200040020000044000000000800000000001000080000004200020208c20010000442000a0000080110000020000000000000000620000000001004000012200000020000001000c2004040000020000000000402000002000801000002004110800000011000240400000044000000800000008000000100c00024400008000000800000000000041000000004000000008000034001002c0000000400840000000000000001000000004040000000180000020000000000000000000400000000000080000000000080000010000000000000002000400000000004000020000010052000000</structure-pattern-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:41:16Z</structure-indexed-at>
</compound>
