6676 <common-name>ETHYL CROTONATE</common-name> <description>Ethyl crotonate is an organic compound with the chemical formula C6H10O2 and an average molecular weight of 114.14 g/mol. ETHYL CROTONATE belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. Within the broader chemical hierarchy, it is categorized under the superclass of lipids and lipid-like molecules. In industrial applications, the compound is utilized as a fragrance, a flavouring agent, and a nutrient. It has been identified in five recorded sources across various sectors. These sources include food, food processing and cookware, specifically in the preparation of wine or sparkling wine. Additionally, it is found in household cleaning and consumer products, such as tobacco product cases and other smoking requisites. The compound is also associated with electrical and electronic equipment, appearing in antennas and amplifiers.</description> <cas>623-70-1</cas> <pubchem-id>429065</pubchem-id> <chemical-formula>C6H10O2</chemical-formula> <weight>114.14</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">2016-05-19T02:03:52Z</created-at> <updated-at type="dateTime">2026-08-23T04:21:59Z</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(=O)OCC</moldb-smiles> <moldb-formula>C6H10O2</moldb-formula> <moldb-inchi>InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+</moldb-inchi> <moldb-inchikey>ZFDIRQKJPRINOQ-HWKANZROSA-N</moldb-inchikey> <moldb-average-mass type="decimal">114.144</moldb-average-mass> <moldb-mono-mass type="decimal">114.068079562</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.3</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>CHEM005571</chemdb-id> <dsstox-id>DTXSID5057591</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00075573</susdat-id> <iupac>ethyl (E)-but-2-enoate</iupac> <moldb-polar-surface-area>26.3</moldb-polar-surface-area> <moldb-refractivity>32.4826</moldb-refractivity> <moldb-polarizability>12.560682891980168</moldb-polarizability> <moldb-rotatable-bond-count>3</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>-6.789815320886001</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>1.70</moldb-alogps-logp> <moldb-alogps-logs>-1.09</moldb-alogps-logs> <moldb-alogps-solubility>9.25e+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">24</paper-count> <sync-id>CED0008907</sync-id> <structure-inchikey>ZFDIRQKJPRINOQ-HWKANZROSA-N</structure-inchikey> <structure-fingerprint>1000000000000800000000000000010000000000000008000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000000000020000000000300000000000000000000000000010100000008000000000000000000000000000000000000000000000000000040004000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000008100000000000000000000000000000002000000000000000000000000000000000000000000000000400000000000000000000000000400000</structure-fingerprint> <structure-pattern-fingerprint>e0000000000000000000000000000040000000000400000000050000000008000000000010000000000042000800004000004004400002000008011000000000000000000200042010000000000400000020000000000000900003000000000000000000000402000002000001000046000110800000010000200440000040000000000000088000000100400024440000000040800000080000041000000000000000008000000000002c0000000000800000000000000000000000000040000000000000000000000000000000000400000000000080000000000040000000000000004000000000000000000004000000000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAIAAAABwAAAIABBgA4AAAAAwEEBgBgAAAA AQMGADgAAAADAQQGACgAAAADBAgAKAAAAAMCCAAoAAAAAwIGAGAAAAACAgYA YAAAAAEDCwABBAMAAioCAwIBAwIDJAQDBCgCAwUgBQYABgcAQgAAAAAXBAAA AAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:28Z</structure-indexed-at> </compound>