6792 <common-name>ETHYL 5-OXODECANOATE</common-name> <description>ETHYL 5-OXODECANOATE belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This compound has the formula C12H22O3 and an average molecular weight of 214.31 g/mol. It is utilized industrially as a nutrient and a flavouring agent. Regarding its environmental presence, it is found in indoor air, specifically within air, dust, and atmospheric transport. The recorded exposure route for this substance is inhalation.</description> <cas>93919-00-7</cas> <pubchem-id>3022909</pubchem-id> <chemical-formula>C12H22O3</chemical-formula> <weight>214.3</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">2016-05-19T02:05:15Z</created-at> <updated-at type="dateTime">2026-08-18T20:44:38Z</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>CCCCCC(=O)CCCC(=O)OCC</moldb-smiles> <moldb-formula>C12H22O3</moldb-formula> <moldb-inchi>InChI=1S/C12H22O3/c1-3-5-6-8-11(13)9-7-10-12(14)15-4-2/h3-10H2,1-2H3</moldb-inchi> <moldb-inchikey>ZAHUTEIIIFGYHV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">214.305</moldb-average-mass> <moldb-mono-mass type="decimal">214.156894568</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>2289282</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>CHEM005687</chemdb-id> <dsstox-id>DTXSID50239888</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00022888</susdat-id> <iupac>ethyl 5-oxodecanoate</iupac> <moldb-polar-surface-area>43.370000000000005</moldb-polar-surface-area> <moldb-refractivity>59.636700000000005</moldb-refractivity> <moldb-polarizability>25.5746346825564</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>19.680288823334763</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.860771710138241</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>2.77</moldb-alogps-logp> <moldb-alogps-logs>-2.96</moldb-alogps-logs> <moldb-alogps-solubility>2.37e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">125017</paper-count> <sync-id>CED0135549</sync-id> <structure-inchikey>ZAHUTEIIIFGYHV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000010000000000000000000040000000000000002000000000000000000000000000000000000000000000000000000000000000000000000010000000000000020000204000100000000000000000000000020010000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000020000001000000000000000000000000000002001000000008008000000000000000000000000000008000000000000000000000000000000000000002000000080000000000000000000000000000000000000010400000000000000000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADgAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIG AGAAAAACAgYAYAAAAAEDCwABAAECAAIDAAMEAAQFAAUGCAIFBwAHCAAICQAJ CgAKCygCCgwgDA0ADQ4AQgAAAAAXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:32Z</structure-indexed-at> </compound>