6499 <common-name>1,4-DIMETHYL-4-ACETYL-1-CYCLOHEXENE</common-name> <description>1,4-DIMETHYL-4-ACETYL-1-CYCLOHEXENE is an organic oxygen compound with the formula C10H16O and an average molecular weight of 152.23 g/mol. 1,4-DIMETHYL-4-ACETYL-1-CYCLOHEXENE belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. Industrially, it serves as a nutrient and a flavouring agent. This compound is found in food contact materials, including food, food processing, and cookware. Recorded routes of exposure include touch, inhalation, and oral contact.</description> <cas>43219-68-7</cas> <pubchem-id>65289</pubchem-id> <chemical-formula>C10H16O</chemical-formula> <weight>152.23</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">2016-05-19T02:01:42Z</created-at> <updated-at type="dateTime">2026-08-18T02:00:57Z</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>CC(=O)C1(C)CCC(C)=CC1</moldb-smiles> <moldb-formula>C10H16O</moldb-formula> <moldb-inchi>InChI=1S/C10H16O/c1-8-4-6-10(3,7-5-8)9(2)11/h4H,5-7H2,1-3H3</moldb-inchi> <moldb-inchikey>BIUSXTISNNLMOR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">152.2334</moldb-average-mass> <moldb-mono-mass type="decimal">152.120115134</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM005394</chemdb-id> <dsstox-id>DTXSID50866118</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00057458</susdat-id> <iupac>1-(1,4-dimethylcyclohex-3-en-1-yl)ethanone</iupac> <moldb-polar-surface-area>17.07</moldb-polar-surface-area> <moldb-refractivity>47.296600000000005</moldb-refractivity> <moldb-polarizability>18.00580643176604</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>19.298172575025816</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.411775451677174</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.40</moldb-alogps-logp> <moldb-alogps-logs>-2.19</moldb-alogps-logs> <moldb-alogps-solubility>9.86e-01 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">0</paper-count> <sync-id>CED0044287</sync-id> <structure-inchikey>BIUSXTISNNLMOR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000080000020000000000000000000000000000000000000010000000000000000800000000000020000000000000400000000400000000048000000000000000000000000200000000000000000000000000020000000000000000000000000080000000000000000000000000800000000000000000000000000000000000000000000000000000000002000200000000004000004000000000000000240000008000400000000008000100000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACwAAAIABBgBgAAAAAQMGACgAAAAD BAgAKAAAAAMCBgAgAAAABAYAYAAAAAEDBgBgAAAAAgIGAGAAAAACAgYAKAAA AAMEBgBgAAAAAQMGAGgAAAADAwEGAGAAAAACAgsAAQABAggCAQMAAwQAAwUA BQYABgcABwgABwkIAgkKAAoDAEIBAAAABgMKCQcGBRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:22Z</structure-indexed-at> </compound>