HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
beta-Methyl-gamma-butyrolactone
4-Methyldihydrofuran-2(3H)-one · 3-Methylbutyrolactone · 2(3H)-Furanone, dihydro-4-Methyl- · 4-methyloxolan-2-one · 4-Methyltetrahydrofuran-2-one · Tetrahydro-4-methylfuran-2-one · dihydro-4-methyl 2(3H)-furanone · 4-methyltetrahydrofuran-2(3H)-one
Identifikatoren & physikalische Daten
| CAS No. | 1679-49-8 |
|---|---|
| Summenformel | C5H8O2 |
| Durchschnittliche Molmasse | 100,12 g/mol |
| Monoisotopische Masse | 100,05242949 g/mol |
| SMILES | CC1COC(=O)C1 |
| InChIKey | ALZLTHLQMAFAPA-UHFFFAOYSA-N |
| PubChem CID | 98451 |
| ChEBI | CHEBI:173338 |
| EC No. | 839-297-4 |
| DTXSID | DTXSID70862733 |
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 | 88 |
| Physical Description | Solid |
| Kovats Retention Index | 913914916910 |
| Siedepunkt | 80-91 °C(Press: 10 Torr) |
| Dichte | 1.040±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| LogP (Verteilungskoeffizient) | -0.270 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H227 |
Anwendungen & Verwendung
Verwenden
Dihydro-4-methyl-2(3H)-furanone (cas# 1679-49-8) was identified as an aroma contributing compound in a flavour profiling of Wild Harenna coffee beans.