HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3(2H)-Furanone, 2,2-dimethyl-
FEMA 4101 · Dimethylfuranone · 2,2-dimethylfuran-3-one · 2,5-Dimethyl-3(2H)furanone · 2,2-Dimethylfuran-3(2H)-one · 2,5-DIMETHYLFURAN-3(2H)-ONE · 2,2-DIMETHYL-3(2 H)-FURANONE · 3(2H)-Furanone, 2,2-dimethyl-
Identifikatoren & physikalische Daten
| CAS No. | 35298-48-7 |
|---|---|
| Summenformel | C6H8O2 |
| Durchschnittliche Molmasse | 112,13 g/mol |
| Monoisotopische Masse | 112,05242949 g/mol |
| SMILES | CC1(C)OC=CC1=O |
| InChIKey | HVNICCSXGONRCB-UHFFFAOYSA-N |
| PubChem CID | 147604 |
| EC No. | 623-609-9 |
| DTXSID | DTXSID10188787 |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 145 |
| SpringerMaterials Properties | Chemical shift |
| Siedepunkt | 46-47 °C18 mm Hg(lit.) |
| Dichte | 1.027 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.455(lit.) |
| Flammpunkt | 125 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| InChI | 1S/C6H8O2/c1-6(2)5(7)3-4-8-6/h3-4H,1-2H3 |
| InChIKey | HVNICCSXGONRCB-UHFFFAOYSA-N |
| SMILES | CC1(C)OC=CC1=O |
| CAS Datenbank | 35298-48-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1224 3/PG 3 |
| R-Sätze (R) | 10-43-36/38 |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) | 16-27-36/37/39-37/39-26-24/25 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,2-Dimethyl-3(2H)-furanone was used in the synthesis of epoxides via epoxidation. It was also used in the preparation of racemic methyl nonactate.