HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methyl-2(5H)-furanone
3-Methylfuran-2(5H)-one · 2-Methyl-2-butenolide · 2(5H)-Furanone, 3-methyl- · 3-Methylbut-2-enolide · 3-METHYL-2(5H)-FURANONE · 4-methyl-2H-furan-5-one · 2-methyl-2-buten-4-olide · 3-Methyl-2(5H)-furanone>3-METHYL-2(5H)-FURANONE 97+%
Identifikatoren & physikalische Daten
| CAS No. | 22122-36-7 |
|---|---|
| Summenformel | C5H6O2 |
| Durchschnittliche Molmasse | 98,1 g/mol |
| Monoisotopische Masse | 98,03677943 g/mol |
| SMILES | CC1=CCOC1=O |
| InChIKey | VGHBEMPMIVEGJP-UHFFFAOYSA-N |
| PubChem CID | 30945 |
| EC No. | 627-982-9 |
| DTXSID | DTXSID50176643 |
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 | 7 |
| Formalladung | 0 |
| Komplexität | 124 |
| Schmelzpunkt | 72-73 °C(Solv: ethyl ether (60-29-7)) |
| Siedepunkt | 97-99 °C20 mm Hg(lit.) |
| Dichte | 1.13 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.467(lit.) |
| Flammpunkt | 200 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light orange to Yellow |
| BRN | 1642 |
| InChI | InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3 |
| InChIKey | VGHBEMPMIVEGJP-UHFFFAOYSA-N |
| SMILES | O1CC=C(C)C1=O |
| CAS Datenbank | 22122-36-7 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2932.20.5050 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Methyl-2(5H)-furanone is the suitable model compound used to investigate the fragmentation mechanism of five membered lactones by electrospray ionisation tandem mass spectrometry and also to study the airway irritation of isoprene, isoprene/ozone, and isoprene/ozone/nitrogen dioxide mixture.