6763 <common-name>ETHYL 2-METHYL-3-PENTENOATE</common-name> <description>ETHYL 2-METHYL-3-PENTENOATE is an organic compound with the formula C8H14O2 and an average molecular weight of 142.20 g/mol. ETHYL 2-METHYL-3-PENTENOATE belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. In industrial applications, this compound is utilized as a fragrance as well as a flavouring and nutrient.</description> <cas>1617-23-8</cas> <pubchem-id>5463855</pubchem-id> <chemical-formula>C8H14O2</chemical-formula> <weight>142.2</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">2016-05-19T02:04:53Z</created-at> <updated-at type="dateTime">2026-08-24T15:24:00Z</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(C)=C(\[H])C(C)C(=O)OCC</moldb-smiles> <moldb-formula>C8H14O2</moldb-formula> <moldb-inchi>InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4+</moldb-inchi> <moldb-inchikey>HOWBPXBYCPKWBL-GQCTYLIASA-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>2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4576405</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>CHEM005658</chemdb-id> <dsstox-id>DTXSID2051768</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00012433</susdat-id> <iupac>ethyl (E)-2-methylpent-3-enoate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>41.681400000000004</moldb-refractivity> <moldb-polarizability>16.451185978851814</moldb-polarizability> <moldb-rotatable-bond-count>4</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>-7.114755316263178</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>2.55</moldb-alogps-logp> <moldb-alogps-logs>-1.55</moldb-alogps-logs> <moldb-alogps-solubility>3.97e+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">2</paper-count> <sync-id>CED0052678</sync-id> <structure-inchikey>HOWBPXBYCPKWBL-GQCTYLIASA-N</structure-inchikey> <structure-fingerprint>60008000000000000000800008000000000010000000000000008000000000000000001002000000000000000000000000000000000000000000000000000000000000000000000000000000000000080020000000000300000000000000000000000000010000000008000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000020000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000002000000000000000000000002000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACQAAAIABBgA4AAAAAwEEBgBgAAAA AQMGADgAAAADAQQGAGAAAAADAQYAYAAAAAEDBgAoAAAAAwQIACgAAAADAggA KAAAAAMCBgBgAAAAAgIGAGAAAAABAwsAAQQDAAIKAgMCAQMCAwQEAwQAAwUA BQYoAgUHIAcIAAgJAEIAAAAAFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:31Z</structure-indexed-at> </compound>