<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4988</id>
  <title>T3D4933</title>
  <common-name>4-tert-Butylphenyl salicylate</common-name>
  <description>Migration residue from food packaging.</description>
  <cas>87-18-3</cas>
  <pubchem-id>66597</pubchem-id>
  <chemical-formula>C17H18O3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>65 - 66 °C</melting-point>
  <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></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:23:04Z</created-at>
  <updated-at type="dateTime">2026-04-03T10:49:06Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id nil="true"/>
  <omim-id></omim-id>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC(C)(C)C1=CC=C(OC(=O)C2=CC=CC=C2O)C=C1</moldb-smiles>
  <moldb-formula>C17H18O3</moldb-formula>
  <moldb-inchi>InChI=1S/C17H18O3/c1-17(2,3)12-8-10-13(11-9-12)20-16(19)14-6-4-5-7-15(14)18/h4-11,18H,1-3H3</moldb-inchi>
  <moldb-inchikey>DBOSBRHMHBENLP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">270.323</moldb-average-mass>
  <moldb-mono-mass type="decimal">270.125594442</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB41314</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>59965</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>CHEM003889</chemdb-id>
  <dsstox-id>DTXSID9037745</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00022851</susdat-id>
  <iupac>4-tert-butylphenyl 2-hydroxybenzoate</iupac>
</compound>
