62394 <common-name>2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester</common-name> <description>2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C15H24O3 and an average molecular weight of 252.35 g/mol. Industrially, the compound is used as a fragrance. It has been recorded in indoor air, dust, and atmospheric transport, with inhalation identified as a recorded exposure route.</description> <cas>59151-19-8</cas> <pubchem-id>100968</pubchem-id> <chemical-formula>C15H24O3</chemical-formula> <weight>252.35</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">2026-03-31T21:57:34Z</created-at> <updated-at type="dateTime">2026-08-19T12:42:09Z</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>CCCCCC1CC(=O)C=C(C)C1C(=O)OCC</moldb-smiles> <moldb-formula>C15H24O3</moldb-formula> <moldb-inchi>InChI=1S/C15H24O3/c1-4-6-7-8-12-10-13(16)9-11(3)14(12)15(17)18-5-2/h9,12,14H,4-8,10H2,1-3H3</moldb-inchi> <moldb-inchikey>ZJLHQWGPVWXKME-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">252.354</moldb-average-mass> <moldb-mono-mass type="decimal">252.172545</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>91220</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>CHEM058287</chemdb-id> <dsstox-id>DTXSID40866743</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012432</susdat-id> <iupac>ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <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>CED0159831</sync-id> <structure-inchikey>ZJLHQWGPVWXKME-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>880000000000000010000010000000000000210020000000000002000020000200000000000000000000000000000040000000000000000002000000000000010000000000000020000004000100000000000000000000000020010000008000000000000000100000030000000000000000000000100000008048000000000000000000000000000000000000000000020000000000000000000000000000000000080000000020000008000000000000000000000000000000000000000000000000200000000000000000002000000000001000000000000000000000000040000000010400000000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAMBBgBgAAAAAgIGACgA AAADBAgAKAAAAAMCBgBoAAAAAwMBBgAoAAAAAwQGAGAAAAABAwYAYAAAAAMB BgAoAAAAAwQIACgAAAADAggAKAAAAAMCBgBgAAAAAgIGAGAAAAABAwsAAQAB AgACAwADBAAEBQAFBgAGBwAHCCgCBwkgCQooAgoLAAoMAAwNAA0OKAINDyAP EAAQEQAMBQBCAQAAAAYFDAoJBwYXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:15:27Z</structure-indexed-at> </compound>