<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4929</id>
  <title>T3D4874</title>
  <common-name>Ethoxyquin</common-name>
  <description>Ethoxyquin is an antioxidant used in animal feeds and for the preservation of colour in the production of chili powder, paprika and ground chilli. Ethoxyquin is formerly used as an agricultural pesticide/herbicide, now superseded. Also used as a post-harvest dip for apples and pears to prevent scald.</description>
  <cas>91-53-2</cas>
  <pubchem-id>3293</pubchem-id>
  <chemical-formula>C14H19NO</chemical-formula>
  <weight>217.31</weight>
  <appearance></appearance>
  <melting-point>0°C (32°F)</melting-point>
  <boiling-point>124°C (255.2°F)</boiling-point>
  <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">2014-09-11T05:20:18Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:59:58Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C07475</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>48723</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id>D005015</ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id>DB16866</drugbank-id>
  <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>CCOC1=CC2=C(NC(C)(C)C=C2C)C=C1</moldb-smiles>
  <moldb-formula>C14H19NO</moldb-formula>
  <moldb-inchi>InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3</moldb-inchi>
  <moldb-inchikey>DECIPOUIJURFOJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">217.3068</moldb-average-mass>
  <moldb-mono-mass type="decimal">217.146664235</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>3</logp>
  <hmdb-id>HMDB39531</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>3177</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>CHEM003830</chemdb-id>
  <dsstox-id>DTXSID9020582</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00009586</susdat-id>
  <iupac>6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline</iupac>
  <moldb-polar-surface-area>21.259999999999998</moldb-polar-surface-area>
  <moldb-refractivity>69.67580000000001</moldb-refractivity>
  <moldb-polarizability>25.929862704836772</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>5.14515564729768</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>4.01</moldb-alogps-logp>
  <moldb-alogps-logs>-2.94</moldb-alogps-logs>
  <moldb-alogps-solubility>2.47e-01 g/l</moldb-alogps-solubility>
</compound>
