<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4031</id>
  <title>T3D3977</title>
  <common-name>Methylparaben</common-name>
  <description>Methylparaben is found in alcoholic beverages. Methylparaben is an antimicrobial agent, preservative, flavouring agent. Methylparaben is a constituent  of cloudberry, yellow passion fruit, white wine, botrytised wine and Bourbon vanilla. Methylparaben has been shown to exhibit anti-microbial function  Methylparaben 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. (A3204).</description>
  <cas>99-76-3</cas>
  <pubchem-id>7456</pubchem-id>
  <chemical-formula>C8H8O3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>131°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>2.5 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>Methylparaben 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">2014-08-29T04:48:27Z</created-at>
  <updated-at type="dateTime">2026-04-14T19:42:26Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id>31835</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB14212</drugbank-id>
  <pdb-id>MPB</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>COC(=O)C1=CC=C(O)C=C1</moldb-smiles>
  <moldb-formula>C8H8O3</moldb-formula>
  <moldb-inchi>InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3</moldb-inchi>
  <moldb-inchikey>LXCFILQKKLGQFO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">152.1473</moldb-average-mass>
  <moldb-mono-mass type="decimal">152.047344122</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>1.96</logp>
  <hmdb-id>HMDB32572</hmdb-id>
  <chembl-id>CHEMBL325372</chembl-id>
  <chemspider-id>7176</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>CHEM002937</chemdb-id>
  <dsstox-id>DTXSID4022529</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00001849</susdat-id>
  <iupac>methyl 4-hydroxybenzoate</iupac>
</compound>
