<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4033</id>
  <title>T3D3979</title>
  <common-name>Propylparaben</common-name>
  <description>Propylparaben is an antimicrobial agent, preservative, flavouring agent. Propylparaben 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>94-13-3</cas>
  <pubchem-id>7175</pubchem-id>
  <chemical-formula>C10H12O3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>96 - 97°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>0.5 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 nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T04:48:30Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:35Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id>32063</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <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>CCCOC(=O)C1=CC=C(O)C=C1</moldb-smiles>
  <moldb-formula>C10H12O3</moldb-formula>
  <moldb-inchi>InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=QELSKZZBTMNZEB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">180.2005</moldb-average-mass>
  <moldb-mono-mass type="decimal">180.07864425</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>3.04</logp>
  <hmdb-id>HMDB32574</hmdb-id>
  <chembl-id>CHEMBL194014</chembl-id>
  <chemspider-id>6907</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>
