6536 <common-name>2,5-DIMETHYL-4-METHOXY-3(2H)-FURANONE</common-name> <description>2,5-DIMETHYL-4-METHOXY-3(2H)-FURANONE is an organic compound with the formula C7H10O3 and an average molecular weight of 142.15 g/mol. 2,5-DIMETHYL-4-METHOXY-3(2H)-FURANONE belongs to the furanones, a subclass of dihydrofurans within the organic compounds. In industrial applications, the compound is utilized as a fragrance, a nutrient, and a flavouring agent. It has been recorded as being released from household cleaning and consumer products, specifically cigar cigarettes.</description> <cas>4077-47-8</cas> <pubchem-id>61325</pubchem-id> <chemical-formula>C7H10O3</chemical-formula> <weight>142.15</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">2016-05-19T02:02:06Z</created-at> <updated-at type="dateTime">2026-08-23T17:29:32Z</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>COC1=C(C)OC(C)C1=O</moldb-smiles> <moldb-formula>C7H10O3</moldb-formula> <moldb-inchi>InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3</moldb-inchi> <moldb-inchikey>SIMKGHMLPVDSJE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">142.1525</moldb-average-mass> <moldb-mono-mass type="decimal">142.062994186</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1</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>CHEM005431</chemdb-id> <dsstox-id>DTXSID20863316</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00047373</susdat-id> <iupac>4-methoxy-2,5-dimethylfuran-3-one</iupac> <moldb-polar-surface-area>35.53</moldb-polar-surface-area> <moldb-refractivity>38.04390000000001</moldb-refractivity> <moldb-polarizability>14.382969975909845</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>8.17602709585046</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.6561718916541315</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.43</moldb-alogps-logp> <moldb-alogps-logs>0.03</moldb-alogps-logs> <moldb-alogps-solubility>1.52e+02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Dihydrofurans</klass> <subklass>Furanones</subklass> <paper-count type="integer">17</paper-count> <sync-id>CED0018682</sync-id> <structure-inchikey>SIMKGHMLPVDSJE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000000000080000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000020c00000000100000000000002000000000000000000000040000000000000000000000000000000000000000000100000000040000000800000000000000000000000000000000000000000000000000802140000000000000000080000000000000000000000000000000000000080008000000000000000000000000000000000000000002000002000000000000000000000000000000400000000000000000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAKAAAACgAAAIABBgBgAAAAAQMIACgAAAAD AgYAKAAAAAMEBgAoAAAAAwQGAGAAAAABAwgAKAAAAAMCBgBgAAAAAwEGAGAA AAABAwYAKAAAAAMECAAoAAAAAwILAAEAAQIgAgMoAgMEAAMFIAUGAAYHAAYI AAgJKAIIAiBCAQAAAAUCAwUGCBcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:02:23Z</structure-indexed-at> </compound>