<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4000</id>
  <title>T3D3946</title>
  <common-name>4-Tert-octylphenol</common-name>
  <description>alpha-(p-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene) is used as a food additive [EAFUS] (EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]).

alpha-(p-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene) belongs to the family of p-Menthane Monoterpenes. These are monoterpenes whose structure is based on the p-menthane backbone.</description>
  <cas>140-66-9</cas>
  <pubchem-id>8814</pubchem-id>
  <chemical-formula>C14H22O</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>84.5°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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">2014-08-12T17:18:06Z</created-at>
  <updated-at type="dateTime">2026-04-05T16:32:24Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C14205</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <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)CC(C)(C)C1=CC=C(O)C=C1</moldb-smiles>
  <moldb-formula>C14H22O</moldb-formula>
  <moldb-inchi>InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3</moldb-inchi>
  <moldb-inchikey>ISAVYTVYFVQUDY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">206.3239</moldb-average-mass>
  <moldb-mono-mass type="decimal">206.167065326</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id>HMDB32528</hmdb-id>
  <chembl-id>CHEMBL259327</chembl-id>
  <chemspider-id>8483</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>CHEM002906</chemdb-id>
  <dsstox-id>DTXSID9022360</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00076961</susdat-id>
  <iupac>4-(2,4,4-trimethylpentan-2-yl)phenol</iupac>
</compound>
