<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4032</id>
  <title>T3D3978</title>
  <common-name>Ethylparaben</common-name>
  <description>Ethylparaben is found in alcoholic beverages. Ethylparaben is an antimicrobial agent, preservative. Ethylparaben is present in red wine, white wine and sake. Ethylparaben belongs to the family of Hydroxybenzoic Acid Derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid.</description>
  <cas>120-47-8</cas>
  <pubchem-id>8434</pubchem-id>
  <chemical-formula>C9H10O3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>116°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>0.885 mg/mL at 25°C</solubility>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Ethylparaben is found in alcoholic beverages.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:48:29Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:35Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Ethylparaben</wikipedia>
  <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>E4B</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCOC(=O)C1=CC=C(O)C=C1</moldb-smiles>
  <moldb-formula>C9H10O3</moldb-formula>
  <moldb-inchi>InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=NUVBSKCKDOMJSU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">166.1739</moldb-average-mass>
  <moldb-mono-mass type="decimal">166.062994186</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>2.47</logp>
  <hmdb-id>HMDB32573</hmdb-id>
  <chembl-id>CHEMBL15841</chembl-id>
  <chemspider-id>13846749</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"/>
</compound>
