5928 <common-name>BENZYL BENZOATE</common-name> <description>BENZYL BENZOATE (C14H12O2) is a compound with an average molecular weight of 212.24 g/mol. BENZYL BENZOATE belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. In industrial applications, it serves as a fragrance, deodorizer, solvent, biocide, preservative, plasticizer, and as a flavouring and nutrient. It acts as a modulator of the protein target Hormone-sensitive lipase (LIPE). The compound is found in or released from 27 recorded sources. These include drinking water, indoor air, and fencing. Within household cleaning and consumer products, it is found in bleaching agents, cigar cigarettes, match receptacles or boxes, non electric simulated smoking devices, other smoking requisites, and five additional sources. In electrical and electronic equipment, it is present in conductors or conductive bodies characterised by the conductive materials, discharge lamps, electrically stimulated smoking devices, electrodes, fixed capacitors and their manufacture, and four other sources. Regarding food, food processing, and cookware, it is associated with food contact materials, food preservation, and the preparation of malt, vinegar, and wine or sparkling wine. Exposure routes include oral, inhalation, and touch. Regarding plastics, BENZYL BENZOATE is present in polystyrene, polyvinyl chloride, polypropylene, and acrylonitrile butadiene styrene; it is released in polyethylene terephthalate, while results are inconclusive for high-density polyethylene. Health effects associated with the compound include contact dermatitis (PMC7247771) and allergic contact dermatitis (PMC7247771).</description> <cas>120-51-4</cas> <pubchem-id>2345</pubchem-id> <chemical-formula>C14H12O2</chemical-formula> <weight>212.24</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">2016-05-19T01:55:18Z</created-at> <updated-at type="dateTime">2026-05-14T16:45:46Z</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>DB00676</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>O=C(OCC1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C14H12O2</moldb-formula> <moldb-inchi>InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2</moldb-inchi> <moldb-inchikey>SESFRYSPDFLNCH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">212.2439</moldb-average-mass> <moldb-mono-mass type="decimal">212.083729628</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>13856959</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>CHEM004823</chemdb-id> <dsstox-id>DTXSID8029153</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00006239</susdat-id> <iupac>benzyl benzoate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>62.69590000000002</moldb-refractivity> <moldb-polarizability>22.853766005726815</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-6.900968503924089</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.43</moldb-alogps-logp> <moldb-alogps-logs>-4.03</moldb-alogps-logs> <moldb-alogps-solubility>1.98e-02 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">719</paper-count> <sync-id>CED0004456</sync-id> <structure-inchikey>SESFRYSPDFLNCH-UHFFFAOYSA-N</structure-inchikey> 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</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:07Z</structure-indexed-at> </compound>