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4-acetoxy-2,5-dimethyl-3(2H)-furanone
FEMA 3797 · 4-ACETOXY-2,5-DIMETHYL-3(2H)-FURANONE · caramel acetate · 4,5-Dihydro-2,5-dimethyl-4-oxofuran-3-yl Acetate · FURANEOL ACETATE · FRAISION ACETATE · Fraision acetata · Strawberry acetate
Identifikatoren & physikalische Daten
| CAS No. | 4166-20-5 |
|---|---|
| Summenformel | C8H10O4 |
| Durchschnittliche Molmasse | 170,16 g/mol |
| Monoisotopische Masse | 170,0579088 g/mol |
| SMILES | CC(=O)OC1=C(C)OC(C)C1=O |
| InChIKey | VPKIUOQJQJVLRW-UHFFFAOYSA-N |
| PubChem CID | 61334 |
| ChEBI | CHEBI:173778 |
| EC No. | 609-950-6 |
| DTXSID | DTXSID80863332 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 264 |
| Duftstoffe | Fragrance Ingredient (4-Acetoxy-2,5-dimethyl-3(2H)furanone) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Siedepunkt | 243.00 °C. @ 760.00 mm Hg243 °C(lit.) |
| Dichte | 1.167 g/mL at 25 °C(lit.) |
| FEMA | 3797 | 4-ACETOXY-2,5-DIMETHYL-3(2H)FURANONE |
| Brechungsindex | n20/D 1.477(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Wichte | 1.167 |
| Farbe | Light yellow to Yellow to Orange |
| Geruch | at 1.00 % in propylene glycol. sweet caramel tropical fruity brown sugar toffee molasses baked bread |
| Geruchsart | caramellic |
| Biologische Quelle | synthetic |
| JECFA Number | 1456 |
| Hauptanwendungen | flavors and fragrances |
| InChI | 1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3 |
| InChIKey | VPKIUOQJQJVLRW-UHFFFAOYSA-N |
| SMILES | CC1OC(C)=C(OC(C)=O)C1=O |
| LogP (Verteilungskoeffizient) | 0.81 |
| CAS Datenbank | 4166-20-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (96.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2394 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 3(2H)-Furanone, 4-(acetyloxy)-2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Sens. 1B (96.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29321900 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Occurrence
Reported present in strawberry (0.001–0.01).
Verwenden
2,5-Dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetate is furanone derivative; used in manufacturing method of silver nanowire by reacting silver salt in polyol in presence of growth regulator, halide salt, and specific furanone derivative.