<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4862</id>
  <title>T3D4807</title>
  <common-name>Oxybenzone</common-name>
  <description>Oxybenzone is an organic compound used in sunscreens. It is a derivative of benzophenone. It forms colorless crystals that are readily soluble in most organic solvents. It is used as an ingredient in sunscreen and other cosmetics because it absorbs UV-A ultraviolet rays.</description>
  <cas>131-57-7</cas>
  <pubchem-id>4632</pubchem-id>
  <chemical-formula>C14H12O3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>65.5°C</melting-point>
  <boiling-point>155°C at 5.00E+00 mm Hg</boiling-point>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity>Oxybenzone absorbs UV-A ultraviolet rays, preventing them from reaching the skin.</mechanism-of-toxicity>
  <metabolism>Route of Elimination: In vivo studies show oxybenzone is abosorbed transdermally (through the skin) and is excreted in the urine. </metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Used as an ingredient in sunscreen and other cosmetics.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-11T05:17:27Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:57Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Oxybenzone</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C14285</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>34283</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id>C005290</ctd-id>
  <stitch-id nil="true"/>
  <drugbank-id>DB01428</drugbank-id>
  <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>COC1=CC(O)=C(C=C1)C(=O)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C14H12O3</moldb-formula>
  <moldb-inchi>InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=DXGLGDHPHMLXJC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">228.2433</moldb-average-mass>
  <moldb-mono-mass type="decimal">228.07864425</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>3.79</logp>
  <hmdb-id>HMDB15497</hmdb-id>
  <chembl-id>CHEMBL1625</chembl-id>
  <chemspider-id>4471</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></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
