8241 <common-name>PHENETHYL ALCOHOL</common-name> <description nil="true"/> <cas>60-12-8</cas> <pubchem-id>6054</pubchem-id> <chemical-formula>C8H10O</chemical-formula> <weight>122.16</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">2016-05-19T02:21:48Z</created-at> <updated-at type="dateTime">2026-05-14T17:30:37Z</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>DB02192</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>OCCC1=CC=CC=C1</moldb-smiles> <moldb-formula>C8H10O</moldb-formula> <moldb-inchi>InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2</moldb-inchi> <moldb-inchikey>WRMNZCZEMHIOCP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">122.1644</moldb-average-mass> <moldb-mono-mass type="decimal">122.073164942</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.49</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>5830</chemspider-id> <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>CHEM007136</chemdb-id> <dsstox-id>DTXSID9026342</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00004212</susdat-id> <iupac>2-phenylethan-1-ol</iupac> <moldb-polar-surface-area>20.23</moldb-polar-surface-area> <moldb-refractivity>37.6289</moldb-refractivity> <moldb-polarizability>13.867704086240545</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>15.88195457126324</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.4130330705294574</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.51</moldb-alogps-logp> <moldb-alogps-logs>-1.03</moldb-alogps-logs> <moldb-alogps-solubility>1.13e+01 g/l</moldb-alogps-solubility> </compound>