<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3243</id>
  <title>T3D3201</title>
  <common-name>4-Ethylphenol</common-name>
  <description>4-Ethylphenol is found in arabica coffee. 4-Ethylphenol (4-EP) is a phenolic compound produced in wine and beer by the spoilage yeast Brettanomyces. (Wikipedia) 4-Ethylphenol belongs to the family of Phenols and Derivatives. These are compounds containing a phenol moiety, which is a benzene bearing an hydroxyl group.</description>
  <cas>123-07-9</cas>
  <pubchem-id>31242</pubchem-id>
  <chemical-formula>C8H10O</chemical-formula>
  <weight>122.073170</weight>
  <appearance>White powder.</appearance>
  <melting-point>45.0°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>4.9 mg/mL at 25°C [YALKOWSKY,SH &amp; DANNENFELSER,RM (1992)]</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Dermal (T36) ; inhalation (T36) ; oral (T36)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Metabolized to 1- and 2- phenylethanol (A622).</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity (not listed by IARC). (L135)</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Respiratory distress, cardiovascular collapse, shock, ventricular tachycardia, and coma in an adult. Liver, lung, central nervous system and renal injury may also occur (T36).</health-effects>
  <symptoms>Systemic manifestations of toxicity may include nausea, vomiting, diarrhea, dyspnea, tachypnea, pallor, and profuse sweating (T36).</symptoms>
  <treatment>Consider activated charcoal. Monitor for respiratory distress in case of inhalation exposure. Irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. (T36)</treatment>
  <created-at type="dateTime">2009-07-30T17:56:21Z</created-at>
  <updated-at type="dateTime">2026-03-31T19:26:03Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/4-Ethylphenol</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C13637</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>49584</chebi-id>
  <biocyc-id>CPD-10489</biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id>Ethylphenol, para-</stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id>ETY</pdb-id>
  <actor-id>1886</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCC1=CC=C(O)C=C1</moldb-smiles>
  <moldb-formula>C8H10O</moldb-formula>
  <moldb-inchi>InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3</moldb-inchi>
  <moldb-inchikey>HXDOZKJGKXYMEW-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>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB29306</hmdb-id>
  <chembl-id>CHEMBL108475</chembl-id>
  <chemspider-id>28982</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>CHEM002444</chemdb-id>
  <dsstox-id>DTXSID4021977</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010739</susdat-id>
  <iupac>4-ethylphenol</iupac>
</compound>
