8071 <common-name>3-OCTENOIC ACID</common-name> <description>3-OCTENOIC ACID is an organic compound with the chemical formula C8H14O2 and an average molecular weight of 142.20 g/mol. 3-OCTENOIC ACID belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. Industrially, this substance serves as a nutrient and a flavouring agent. The compound is identified in nine recorded sources. Within household cleaning and consumer products, it is found in soap detergents, bleaching agents, cigar cigarettes, and tobacco smoke filters. It is also present in electrical and electronic equipment, specifically in hybrid capacitors and electrically stimulated smoking devices. In the context of food, food processing, and cookware, it occurs in the preparation of vinegar as well as the preparation of wine or sparkling wine. Additionally, it is found in indoor air, which is categorized under air, dust, and atmospheric transport. The recorded route of exposure for this compound is inhalation.</description> <cas>1577-19-1</cas> <pubchem-id>15307</pubchem-id> <chemical-formula>C8H14O2</chemical-formula> <weight nil="true"/> <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">2016-05-19T02:19:58Z</created-at> <updated-at type="dateTime">2026-04-03T09:44:16Z</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>[H]\C(CCCC)=C(\[H])CC(O)=O</moldb-smiles> <moldb-formula>C8H14O2</moldb-formula> <moldb-inchi>InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)/b6-5+</moldb-inchi> <moldb-inchikey>IWPOSDLLFZKGOW-AATRIKPKSA-N</moldb-inchikey> <moldb-average-mass type="decimal">142.198</moldb-average-mass> <moldb-mono-mass type="decimal">142.099379691</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>14570</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>CHEM006966</chemdb-id> <dsstox-id>DTXSID0061799</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00021706</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>37.3</moldb-polar-surface-area> <moldb-refractivity>41.3922</moldb-refractivity> <moldb-polarizability>16.73883802749312</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>5.054156796544981</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>2.73</moldb-alogps-logp> <moldb-alogps-logs>-2.16</moldb-alogps-logs> <moldb-alogps-solubility>9.78e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acids and conjugates</subklass> <paper-count type="integer">5</paper-count> <sync-id>CED0026890</sync-id> <structure-inchikey>IWPOSDLLFZKGOW-AATRIKPKSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000000000000002000000000000000000000004004000000000000000000000000000000000000000000000010800002000000020000000000200000000000000000001000020010000000000000000000000000000000000000000000000000000000000000040000001000000000000000000000000000000000000000000000000000000000000000000080000000000100000000000000000000000000000000000000000000000000000000000000000000000000000000000400010000000000000000000000000001000000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>200000060008000000000020000000000000040000000000400000000440000000008000000000010000000000042000800004000000004430002000008011000000000000000000200042010000000000000000020000002000000900003000000000020000000000402000002000001000046000110800000010000200440000044000000800000088000000100400024440000000040800000000000041000000000000000008000000000002c00000000000000000000000000000000000000400000000800000000000000000000000004000000000000800000000000c0000000000000004000000000000000000004000000000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACQAAAIABBgA4AAAAAwEEBgBgAAAA AgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAQMGADgAAAADAQQGAGAAAAACAgYA KAAAAAMECABoAAAAAwEBCAAoAAAAAwILAAEEAwECAAIDAAMEAAAFCgIDAgEG BQYEBAYHAAcIIAcJKAJCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:03:09Z</structure-indexed-at> </compound>