<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4958</id>
  <title>T3D4903</title>
  <common-name>Linalyl acetate</common-name>
  <description>Linalyl acetate is found in cardamom. Linalyl acetate is isolated from numerous plants and essential oils, e.g. clary sage, lavender, lemon etc. Linalyl acetate is a flavouring ingredient Linalyl acetate is a naturally-occurring phytochemical found in many flowers and spice plants. It is one of the principal components of the essential oils of bergamot and lavender. Chemically, it is the acetate ester of linalool, and the two often occur in conjunction.</description>
  <cas>115-95-7</cas>
  <pubchem-id>8294</pubchem-id>
  <chemical-formula>C12H20O2</chemical-formula>
  <weight>196.29</weight>
  <appearance></appearance>
  <melting-point>&lt; 25 °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">2014-09-11T05:21:35Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:18:33Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Linalool_acetate</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C09863</kegg-compound-id>
  <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)=CCCC(C)(OC(C)=O)C=C</moldb-smiles>
  <moldb-formula>C12H20O2</moldb-formula>
  <moldb-inchi>InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3</moldb-inchi>
  <moldb-inchikey>UWKAYLJWKGQEPM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">196.286</moldb-average-mass>
  <moldb-mono-mass type="decimal">196.146329884</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>3.93</logp>
  <hmdb-id>HMDB39522</hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>13850082</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>CHEM003859</chemdb-id>
  <dsstox-id>DTXSID7026946</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010320</susdat-id>
  <iupac>3,7-dimethylocta-1,6-dien-3-yl acetate</iupac>
</compound>
