6788 <common-name>ETHYL CIS-4-OCTENOATE</common-name> <description>ETHYL CIS-4-OCTENOATE is an organic compound with the formula C10H18O2 and an average molecular weight of 170.25 g/mol. ETHYL CIS-4-OCTENOATE belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This substance is classified within the superclass of lipids and lipid-like molecules. In industrial applications, it is utilized as a fragrance, as well as a flavouring and nutrient.</description> <cas>34495-71-1</cas> <pubchem-id>5352770</pubchem-id> <chemical-formula>C10H18O2</chemical-formula> <weight>170.25</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">2016-05-19T02:05:12Z</created-at> <updated-at type="dateTime">2026-08-18T02:35:10Z</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(CCC)=C(/[H])CCC(=O)OCC</moldb-smiles> <moldb-formula>C10H18O2</moldb-formula> <moldb-inchi>InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6-</moldb-inchi> <moldb-inchikey>WRUZCQAJIHSQPL-SREVYHEPSA-N</moldb-inchikey> <moldb-average-mass type="decimal">170.252</moldb-average-mass> <moldb-mono-mass type="decimal">170.13067982</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM005683</chemdb-id> <dsstox-id>DTXSID40885590</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00054973</susdat-id> <iupac>ethyl (Z)-oct-4-enoate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>50.90990000000001</moldb-refractivity> <moldb-polarizability>20.435536924573654</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>-7.035535127718511</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>3.27</moldb-alogps-logp> <moldb-alogps-logs>-2.90</moldb-alogps-logs> <moldb-alogps-solubility>2.14e-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>CED0042240</sync-id> <structure-inchikey>WRUZCQAJIHSQPL-SREVYHEPSA-N</structure-inchikey> <structure-fingerprint>800000000000000010000004000000002000000000000000000002000000000000000000000000004000000000000000000000000000020000000000000000000000000000000020000004000300000000000000000000000020010000000000000000000000000000000000000000008000000000000000000040000000000000000000000000000000000000000000020000000000000000000000000000080000002000000000000000000000000000000000000000000008000000000000000000000000000000000000002000000010000000000000000000000000000000000000000400000000000000000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>2000020e0008000000000020000000000000040000000000400000000440000000008000000000010000000000042000800004000000004430002000008411000000000000008000200042010000000000400000020000042000000900083000000000020000000000402000002000001000046000110800000010000200440000044000000800000088080000100400024440000000040800000080000041000000000000000008000004000002c00000000008000000000000000000000000040400000000800000000000000000000000004000000000000800000000000c0000000000000004000000200000000010004000000000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAACwAAAIABBgA4AAAAAwEEBgBgAAAA AgIGAGAAAAACAgYAYAAAAAEDBgA4AAAAAwEEBgBgAAAAAgIGAGAAAAACAgYA KAAAAAMECAAoAAAAAwIIACgAAAADAgYAYAAAAAICBgBgAAAAAQMLAAEEAwEC AAIDAAAECgICAgEFBAUEAwUGAAYHAAcIKAIHCSAJCgAKCwBCAAAAABcEAAAA AAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:32Z</structure-indexed-at> </compound>