6516 <common-name>2,5-DIMETHYL-4-ETHOXY-3(2H)-FURANONE</common-name> <description>2,5-DIMETHYL-4-ETHOXY-3(2H)-FURANONE belongs to the furanones, a subclass of dihydrofurans within the organic compounds. This organoheterocyclic compound has the chemical formula C8H12O3 and an average molecular weight of 156.18 g/mol. Industrially, it is utilized as a nutrient and a flavouring agent. Regarding its environmental occurrence, it has been recorded as being released from electrical and electronic equipment, specifically relays.</description> <cas>65330-49-6</cas> <pubchem-id>3017596</pubchem-id> <chemical-formula>C8H12O3</chemical-formula> <weight>156.18</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">2016-05-19T02:01:52Z</created-at> <updated-at type="dateTime">2026-08-24T13:51:39Z</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>CCOC1=C(C)OC(C)C1=O</moldb-smiles> <moldb-formula>C8H12O3</moldb-formula> <moldb-inchi>InChI=1S/C8H12O3/c1-4-10-8-6(3)11-5(2)7(8)9/h5H,4H2,1-3H3</moldb-inchi> <moldb-inchikey>AILFSZXBRNLVHY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">156.1791</moldb-average-mass> <moldb-mono-mass type="decimal">156.07864425</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</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>CHEM005411</chemdb-id> <dsstox-id>DTXSID20867137</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00056177</susdat-id> <iupac>4-ethoxy-2,5-dimethylfuran-3-one</iupac> <moldb-polar-surface-area>35.53</moldb-polar-surface-area> <moldb-refractivity>42.79250000000001</moldb-refractivity> <moldb-polarizability>16.478378562618627</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>8.166198776808276</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.663182358848127</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>1.00</moldb-alogps-logp> <moldb-alogps-logs>-0.40</moldb-alogps-logs> <moldb-alogps-solubility>6.16e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Dihydrofurans</klass> <subklass>Furanones</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0047862</sync-id> <structure-inchikey>AILFSZXBRNLVHY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000800000000000000008000008000000000000000400000000080002000020000000000000000000000000000000000000000000000000000000000000000000000000000000000020c00000000100000000000002000000000000000000000000000000000000000000000000000000000000000000100000000040000000800000000000000000000000000000000000020000000000000802140000000000000000080000000000000000080000000000000000000000008000000000000000000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAALAAAACwAAAIABBgBgAAAAAQMGAGAAAAAC AggAKAAAAAMCBgAoAAAAAwQGACgAAAADBAYAYAAAAAEDCAAoAAAAAwIGAGAA AAADAQYAYAAAAAEDBgAoAAAAAwQIACgAAAADAgsAAQABAgACAyADBCgCBAUA BAYgBgcABwgABwkACQooAgkDIEIBAAAABQMEBgcJFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:22Z</structure-indexed-at> </compound>