<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4862</id>
  <title>T3D4807</title>
  <common-name>Oxybenzone</common-name>
  <description>Oxybenzone belongs to the benzophenones, a subclass of benzene and substituted derivatives within the organic compounds. This exogenous solid has the formula C14H12O3 and an average molecular weight of 228.24 g/mol. Industrially, it is utilized as a UV stabilizer, fragrance, and stabilizer (PMC13188146). Biologically, it acts as a xenoestrogen (PMC10880820). It serves as a protein target inhibitor for the Estrogen receptor (ESR1), Aromatase (CYP19A1), Androgen receptor (AR), and Estrogen receptor beta (ESR2), among two other proteins.

Oxybenzone is used in various plastics, including Polyurethane, Polycarbonate, Polystyrene, Polyamide, Polyvinyl Chloride, Acrylonitrile butadiene styrene, Polypropylene, Low-Density Polyethylene, and High-Density Polyethylene, and is released in Polyethylene Terephthalate. It is found in or released from 28 recorded sources, including Household items such as Credit Card Holders; Building &amp; Construction materials like Tents Or Canopies and Sunshades Awnings Or Outside Screens; Food, food processing &amp; cookware including Food Preservation, Processing Fish, and Food contact materials; Household cleaning &amp; consumer products such as Soap Detergents, Bleaching Agents, Cigar Cigarettes, Non Electric Simulated Smoking Devices, and Perfumes Within Detergents And Soaps; and Electrical &amp; Electronic Equipment including Antennas, Communication Cables Or Conductors, Conductors Or Conductive Bodies Characterised By The Conductive Materials, Discharge Lamps, and Electric Hearing Aids.

Recorded exposure routes include oral, touch, and inhalation, the latter of which is supported by literature (PMC10005944). Health effects associated with oxybenzone include depression (PMC12578804) and an increase in arthritis (PMC11382499). Additionally, the compound has been detected in the urine of individuals with Prostate cancer (PMC11311772).</description>
  <cas>131-57-7</cas>
  <pubchem-id>4632</pubchem-id>
  <chemical-formula>C14H12O3</chemical-formula>
  <weight>228.24</weight>
  <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">2026-05-14T17:00:21Z</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>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"/>
  <chemdb-id>CHEM003764</chemdb-id>
  <dsstox-id>DTXSID3022405</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-benzoyl-5-methoxyphenol</iupac>
  <moldb-polar-surface-area>46.53</moldb-polar-surface-area>
  <moldb-refractivity>65.07760000000002</moldb-refractivity>
  <moldb-polarizability>23.96111181175272</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>7.073430637559264</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-4.848677912480104</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>3.35</moldb-alogps-logp>
  <moldb-alogps-logs>-3.25</moldb-alogps-logs>
  <moldb-alogps-solubility>1.28e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzophenones</subklass>
  <paper-count type="integer">1076</paper-count>
  <sync-id>CED0008376</sync-id>
  <structure-inchikey>DXGLGDHPHMLXJC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000001000000000000000000000000000000000040000000000000000000000000000200000000000000004000000000000000000000000000000000000000000000000000000000000000020000000000100000200000040000000040000010000000040000000100000000000000000000000000000000000000000000040000010800000000000000000000000000100000000000000000000000000000000000000000000084000000000020000000000000000000000000080000000000000002100000000000000000000000000000000000200000100000000000000000000000040000000000400000000000008004100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@(�������h�������@(������@h�������@h��������(�������(������@(������@h�������@h�������@h�������@h�������@h������������ ��h���h��� ��h���h���h��	 	
(�	� ��h��h��h���h���h���h���h�B���������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:01:31Z</structure-indexed-at>
</compound>
