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4-Methoxy-2,5-dimethylfuran-3(2H)-on
FEMA 3664 · mesifuran · Mesifurane · FURANEOL METHYL ETHER · 3(2H)-Furanone, 4-methoxy-2,5-dimethyl- · Methoxyfuraneol · UNII:3241BIM975 · FRAISION METHYL ETHER
Identifikatoren & physikalische Daten
| CAS No. | 4077-47-8 |
|---|---|
| Summenformel | C7H10O3 |
| Durchschnittliche Molmasse | 142,15 g/mol |
| Monoisotopische Masse | 142,06299418 g/mol |
| SMILES | COC1=C(C)OC(C)C1=O |
| InChIKey | SIMKGHMLPVDSJE-UHFFFAOYSA-N |
| PubChem CID | 61325 |
| ChEBI | CHEBI:169411 |
| EC No. | 223-797-9 |
| DTXSID | DTXSID20863316 |
| Lokaler Name | 4-Methoxy-2,5-dimethylfuran-3(2H)-on |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 193 |
| Duftstoffe | Fragrance Ingredient (2,5-Dimethyl-4-methoxy-3(2H)-furanone) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.091-1.0971.097 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Soluble in fatsInsoluble in waterSoluble (in ethanol) |
| Siedepunkt | 221.00 to 222.00 °C. @ 760.00 mm Hg61-63 °C (0.3 mm Hg)63°C/0.3mmHg(lit.) |
| Brechungsindex | 1.475-1.481n20/D 1.478(lit.) |
| Physical Description | Colourless liquidSweet, carmellic, burnt sugar, aroma |
| FEMA | 3664 | 2,5-DIMETHYL-4-METHOXY-3(2H)-FURANONE |
| Flammpunkt | 167 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Yellow |
| Wichte | 1.097 |
| Geruch | at 1.00 % in dipropylene glycol. sweet moldy mushroom vegetable potato burnt sugar nut skin wasabi caramellic fruity brandy |
| Geruchsart | moldy |
| Biologische Quelle | synthetic |
| JECFA Number | 1451 |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3 |
| InChIKey | SIMKGHMLPVDSJE-UHFFFAOYSA-N |
| SMILES | COC1=C(C)OC(C)C1=O |
| LogP (Verteilungskoeffizient) | 0.54 |
| CAS Datenbank | 4077-47-8(CAS DataBase Reference) |
| NIST chemische Informationen | 3(2H)-furanone, 4-methoxy-2,5-dimethyl-(4077-47-8) |
| EPA chemische Informationen | 3(2H)-Furanone, 4-methoxy-2,5-dimethyl- (4077-47-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.1% (90 of 1469) of reports.WarningH302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1469 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 3(2H)-Furanone, 4-methoxy-2,5-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)3(2H)-Furanone, 4-methoxy-2,5-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Weitere Sicherheitsinformationen | IMAP assessments - 3(2H)-Furanone, 4-methoxy-2,5-dimethyl-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (93.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29329990 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Occurrence
Taste characteristics at 1.0–5.0 ppm:musty, vegetative,savorymeaty with a brown jamy fullnessin the aftertaste. Natural occurrence: Reported found in grape, mango, pineapple, wild raspberry, wild strawberry, (Fragaria vesca), cultivated strawberry, strawberry wine, strawberry jam, blackberries, kiwifruit and Cape gooseberry.