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<compound>
  <id type="integer">6166</id>
  <title nil="true"/>
  <common-name>CEDRYL ACETATE</common-name>
  <description>Cedryl acetate is an organic compound with the formula C17H28O2 and an average molecular weight of 264.40 g/mol. CEDRYL ACETATE belongs to the sesquiterpenoids, a subclass of prenol lipids within the organic compounds.

In industrial applications, the compound is utilized as a fragrance and as a flavouring and nutrient. It is identified as being present in food, food processing, and cookware, specifically as a food contact material. Recorded exposure routes for this substance include inhalation, oral ingestion, and touch.</description>
  <cas>77-54-3</cas>
  <pubchem-id>240121</pubchem-id>
  <chemical-formula>C17H28O2</chemical-formula>
  <weight>264.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <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 nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-19T01:57:45Z</created-at>
  <updated-at type="dateTime">2026-04-17T19:05:55Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1CCC2C(C)(C)C3CC12CCC3(C)OC(C)=O</moldb-smiles>
  <moldb-formula>C17H28O2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3</moldb-inchi>
  <moldb-inchikey>HQKQRXZEXPXXIG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">264.403</moldb-average-mass>
  <moldb-mono-mass type="decimal">264.20893014</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>209770</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>CHEM005061</chemdb-id>
  <dsstox-id>DTXSID4047204</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00012087</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>26.3</moldb-polar-surface-area>
  <moldb-refractivity>75.678</moldb-refractivity>
  <moldb-polarizability>31.140561477671184</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-7.01139931451351</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>4.47</moldb-alogps-logp>
  <moldb-alogps-logs>-5.61</moldb-alogps-logs>
  <moldb-alogps-solubility>6.54e-04 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Prenol lipids</klass>
  <subklass>Sesquiterpenoids</subklass>
  <paper-count type="integer">6</paper-count>
  <sync-id>CED0019845</sync-id>
  <structure-inchikey>HQKQRXZEXPXXIG-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:02:13Z</structure-indexed-at>
</compound>
