6795 <common-name>ETHYL 4-PENTENOATE</common-name> <description>ETHYL 4-PENTENOATE is an organic compound with the formula C7H12O2 and an average molecular weight of 128.17 g/mol. ETHYL 4-PENTENOATE belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. In industrial applications, this lipid-like molecule is utilized as a fragrance, as well as a nutrient and flavouring agent.</description> <cas>1968-40-7</cas> <pubchem-id>74786</pubchem-id> <chemical-formula>C7H12O2</chemical-formula> <weight>128.17</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">2016-05-19T02:05:17Z</created-at> <updated-at type="dateTime">2026-08-23T19:09:39Z</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>CCOC(=O)CCC=C</moldb-smiles> <moldb-formula>C7H12O2</moldb-formula> <moldb-inchi>InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3</moldb-inchi> <moldb-inchikey>PTVSRINJXWDIKP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">128.169</moldb-average-mass> <moldb-mono-mass type="decimal">128.083729628</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>67356</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>CHEM005690</chemdb-id> <dsstox-id>DTXSID7062089</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00021808</susdat-id> <iupac>ethyl pent-4-enoate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>36.034400000000005</moldb-refractivity> <moldb-polarizability>14.513265167498647</moldb-polarizability> <moldb-rotatable-bond-count>5</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>-7.035533432784459</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>2.05</moldb-alogps-logp> <moldb-alogps-logs>-1.16</moldb-alogps-logs> <moldb-alogps-solubility>8.86e+00 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">19</paper-count> <sync-id>CED0013562</sync-id> <structure-inchikey>PTVSRINJXWDIKP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000010000004000000000000000000000000000002000000000000000000000000004000000000000000000000000000000000000000000000000000002000000020000004000300000000000000000000000000010000000000000000000000000000000008000000000000000000000000000040800000000000000000000000000000000000000000020000000000000000000000000000000200002000000000000000000000000000000000000000000008000000000000000000040000000000000000002000000000000000000000000000000000000000000000000400000000000000000000000000004000</structure-fingerprint> <structure-pattern-fingerprint>2000000e0008000000000020000000000000040000000000400000000040000000008000000000010000000000042000800004000000004420002000008011000000000000000000200042010000000000400000020000000000000900003000000000000000000000402000002000001000046000110800000010000200440000044000000800000088000000100400024440000000040800000080000041000000000000000008000000000002c00000000008000000000000000000000000000400000000800000000000000000000000004000000000000800000000000c0000000000000004000000000000000000004000000000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAJAAAACAAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAAAAICBgBgAAAAAgIGAGgA AAADAwEGAGgAAAADAgILAAEAAQIAAgMgAwQoAgMFAAUGAAYHAAcICAJCAAAA ABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:32Z</structure-indexed-at> </compound>