<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4990</id>
  <title>T3D4935</title>
  <common-name>Ethyl benzoate</common-name>
  <description>Ethyl benzoate is found in alcoholic beverages. Ethyl benzoate is found in various fruits, e.g. apple, banana, sweet cherry. Also present in milk, butter, wines, black tea, bourbon vanilla and fruit brandies. Ethyl benzoate is a flavouring agent As with many volatile esters, ethyl benzoate has a pleasant odor. It is a component of some artificial fruit flavors. Ethyl benzoate is the ester formed by the condensation of benzoic acid and ethanol. It is a colorless liquid that is almost insoluble in water, but miscible with most organic solvents.</description>
  <cas>93-89-0</cas>
  <pubchem-id>7165</pubchem-id>
  <chemical-formula>C9H10O2</chemical-formula>
  <weight nil="true"/>
  <appearance></appearance>
  <melting-point>-34 °C</melting-point>
  <boiling-point>213°C (415.4°F)</boiling-point>
  <density nil="true"/>
  <solubility>0.72 mg/mL at 25 °C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:23:09Z</created-at>
  <updated-at type="dateTime">2026-03-31T16:40:01Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Ethyl_benzoate</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C01839</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>32807</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOC(=O)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C9H10O2</moldb-formula>
  <moldb-inchi>InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3</moldb-inchi>
  <moldb-inchikey>MTZQAGJQAFMTAQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">150.1745</moldb-average-mass>
  <moldb-mono-mass type="decimal">150.068079564</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>2.64</logp>
  <hmdb-id>HMDB33967</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>6897</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>CHEM003891</chemdb-id>
  <dsstox-id>DTXSID3038696</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00008338</susdat-id>
  <iupac>ethyl benzoate</iupac>
</compound>
