<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4935</id>
  <title>T3D4880</title>
  <common-name>Isoeugenol</common-name>
  <description>Isoeugenol is is a clear to pale yellow oily liquid extracted from certain essential oils especially from clove oil and cinnamon. It is very slightly soluble in water and soluble in organic solvents. It has a spicy odor and taste of clove. Isoeugenol is prepared from eugenol by heating. Eugenol is used in perfumeries, flavorings, essential oils and in medicine (local antiseptic and analgesic). It is used in the production of isoeugenol for the manufacture of vanillin. Eugenol derivatives or methoxyphenol derivatives in wider classification are used in perfumery and flavoring. They are used in formulating insect attractants and UV absorbers, analgesics, biocides and antiseptics. They are also used in manufacturing stabilizers and antioxidants for plastics and rubbers. Isoeugenol is used in manufacturing perfumeries, flavorings, essential oils (odor description: Clove, spicy, sweet, woody) and in medicine (local antiseptic and analgesic) as well as vanillin. (A7915).</description>
  <cas>97-54-1</cas>
  <pubchem-id>853433</pubchem-id>
  <chemical-formula>C10H12O2</chemical-formula>
  <weight nil="true"/>
  <appearance></appearance>
  <melting-point>-10 °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">2014-09-11T05:20:36Z</created-at>
  <updated-at type="dateTime">2026-04-05T17:24:24Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C10469</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>50545</chebi-id>
  <biocyc-id>ISOEUGENOL</biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id>EUG</pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>COC1=CC(\C=C\C)=CC=C1O</moldb-smiles>
  <moldb-formula>C10H12O2</moldb-formula>
  <moldb-inchi>InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+</moldb-inchi>
  <moldb-inchikey>BJIOGJUNALELMI-ONEGZZNKSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">164.2011</moldb-average-mass>
  <moldb-mono-mass type="decimal">164.083729628</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>3.04</logp>
  <hmdb-id>HMDB05802</hmdb-id>
  <chembl-id>CHEMBL193598</chembl-id>
  <chemspider-id>21106129</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>Mannich, C.; Schmitt, Frida.  Synthesis of amino alcohols from isosafrole, isoeugenol and anethole.    Arch. Pharm.  (1928),  266  73-84.  CAN 22:39242  AN 1928:39242 </synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003836</chemdb-id>
  <dsstox-id>DTXSID50872350</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00078804</susdat-id>
  <iupac>2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol</iupac>
</compound>
