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<compound>
  <id type="integer">5948</id>
  <title nil="true"/>
  <common-name>BENZYL SALICYLATE</common-name>
  <description>BENZYL SALICYLATE (C14H12O3) is an organic compound with an average molecular weight of 228.24 g/mol. BENZYL SALICYLATE belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. In industrial applications, the compound is utilized as a fragrance, a UV stabilizer, and as a flavouring and nutrient.

The compound is present in polyurethane and is released in polyethylene terephthalate. It is found in or released from 18 recorded sources. Within household cleaning and consumer products, it is associated with soap detergents, perfumes within detergents and soaps, bleaching agents, cigar cigarettes, and non electric simulated smoking devices. In the category of electrical and electronic equipment, it is found in discharge lamps, antennas, electrically stimulated smoking devices, fixed capacitors and their manufacture, and conductors or conductive bodies characterised by the conductive materials. Regarding food, food processing, and cookware, it is linked to food preservation, processing meats, and fermentation processes for beer. Additionally, it is recorded in drinking water and indoor air. Recorded exposure routes for the compound include oral and inhalation.</description>
  <cas>118-58-1</cas>
  <pubchem-id>8363</pubchem-id>
  <chemical-formula>C14H12O3</chemical-formula>
  <weight>228.24</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <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 nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-19T01:55:31Z</created-at>
  <updated-at type="dateTime">2026-08-19T04:52:29Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <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 nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC1=C(C=CC=C1)C(=O)OCC1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C14H12O3</moldb-formula>
  <moldb-inchi>InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2</moldb-inchi>
  <moldb-inchikey>ZCTQGTTXIYCGGC-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 nil="true"/>
  <state nil="true"/>
  <logp>3.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>8060</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>CHEM004843</chemdb-id>
  <dsstox-id>DTXSID1024598</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00005123</susdat-id>
  <iupac>benzyl 2-hydroxybenzoate</iupac>
  <moldb-polar-surface-area>46.53</moldb-polar-surface-area>
  <moldb-refractivity>64.67680000000001</moldb-refractivity>
  <moldb-polarizability>23.66488658278388</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>9.715458839646441</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-4.287883324229868</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>3.66</moldb-alogps-logp>
  <moldb-alogps-logs>-3.31</moldb-alogps-logs>
  <moldb-alogps-solubility>1.13e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Benzoic acids and derivatives</subklass>
  <paper-count type="integer">107</paper-count>
  <sync-id>CED0011526</sync-id>
  <structure-inchikey>ZCTQGTTXIYCGGC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000050000000000000000000000000000000000000000000000000000000000004000000000001000000000000000000000000000000000000000000000000000020000000000100000000000040000000000000010000000000000000000000000000000000000000000000000000000000000000200000800000000000000000000000000100100000000000000000000000000000000000000000080000000000000001000000000000000000000000000000000000002100000000000000004000000000000000000220000000000000000001000000000048000000002400000000000000000100000000000020</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:02:08Z</structure-indexed-at>
</compound>
