12018 <common-name>Cyclohexaneacetaldehyde, .alpha.-methyl-</common-name> <description nil="true"/> <cas>2109-22-0</cas> <pubchem-id>95560</pubchem-id> <chemical-formula>C9H16O</chemical-formula> <weight>140.22</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">2016-05-19T03:30:00Z</created-at> <updated-at type="dateTime">2026-08-25T13:49:19Z</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(C=O)C1CCCCC1</moldb-smiles> <moldb-formula>C9H16O</moldb-formula> <moldb-inchi>InChI=1S/C9H16O/c1-8(7-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3</moldb-inchi> <moldb-inchikey>UQURIQWAEZGLAC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">140.226</moldb-average-mass> <moldb-mono-mass type="decimal">140.120115135</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>86253</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>CHEM010913</chemdb-id> <dsstox-id>DTXSID10862833</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006923</stoff-ident-id> <susdat-id>NS00007730</susdat-id> <iupac>2-cyclohexylpropanal</iupac> <moldb-polar-surface-area>17.07</moldb-polar-surface-area> <moldb-refractivity>42.070100000000004</moldb-refractivity> <moldb-polarizability>16.9302320788741</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>18.694544984456115</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.0205203408884955</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.84</moldb-alogps-logp> <moldb-alogps-logs>-3.16</moldb-alogps-logs> <moldb-alogps-solubility>9.74e-02 g/l</moldb-alogps-solubility> <kingdom nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> </compound>