6372 <common-name>DELTA-DAMASCONE</common-name> <description>DELTA-DAMASCONE is an organic oxygen compound with the formula C13H20O and an average molecular weight of 192.30 g/mol. DELTA-DAMASCONE belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. In industrial applications, the compound is used as a fragrance, a deodorizer, and as a flavouring and nutrient. It has been recorded in drinking water and water supply sources, with oral exposure being the recorded route of exposure.</description> <cas>57378-68-4</cas> <pubchem-id>5365916</pubchem-id> <chemical-formula>C13H20O</chemical-formula> <weight>192.3</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">2016-05-19T01:59:55Z</created-at> <updated-at type="dateTime">2026-08-19T02:13:36Z</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>C\C=C\C(=O)C1C(C)C=CCC1(C)C</moldb-smiles> <moldb-formula>C13H20O</moldb-formula> <moldb-inchi>InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+</moldb-inchi> <moldb-inchikey>XEJGJTYRUWUFFD-FNORWQNLSA-N</moldb-inchikey> <moldb-average-mass type="decimal">192.2973</moldb-average-mass> <moldb-mono-mass type="decimal">192.151415262</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4517857</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>CHEM005267</chemdb-id> <dsstox-id>DTXSID1052456</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010006</susdat-id> <iupac>(E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one</iupac> <moldb-polar-surface-area>17.07</moldb-polar-surface-area> <moldb-refractivity>62.407100000000014</moldb-refractivity> <moldb-polarizability>23.082790106321042</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>-4.634109011434862</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.95</moldb-alogps-logp> <moldb-alogps-logs>-4.05</moldb-alogps-logs> <moldb-alogps-solubility>1.73e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">7</paper-count> <sync-id>CED0030857</sync-id> <structure-inchikey>XEJGJTYRUWUFFD-FNORWQNLSA-N</structure-inchikey> 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type="dateTime">2026-09-19T04:02:17Z</structure-indexed-at> </compound>