HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylglutarsaeureanhydrid
4-METHYLDIHYDRO-2H-PYRAN-2,6(3H)-DIONE · 4-methyloxane-2,6-dione · 3-Methyglutaric anhydride · 3-Methylglutaric anhydride · 3-MethylglutaricAnhydride>BETA-METHYLGLUTARIC ANHYDRIDE · 3-Methylglutaricanhydride,98% · 3-Methylglutaric anhydride,97% · 3-Methylpentanedioic anhydride
Identifikatoren & physikalische Daten
| CAS No. | 4166-53-4 |
|---|---|
| Summenformel | C6H8O3 |
| Durchschnittliche Molmasse | 128,13 g/mol |
| Monoisotopische Masse | 128,04734412 g/mol |
| SMILES | CC1CC(=O)OC(=O)C1 |
| InChIKey | MGICRVTUCPFQQZ-UHFFFAOYSA-N |
| PubChem CID | 77828 |
| EC No. | 224-020-6 |
| DTXSID | DTXSID90194487 |
| Lokaler Name | 3-Methylglutarsaeureanhydrid |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 134 |
| Schmelzpunkt | 42-46 °C (lit.) |
| Siedepunkt | 180-182 °C/25 mmHg (lit.) |
| Dichte | 1.2072 (rough estimate) |
| Brechungsindex | 1.4585 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Crystalline Low Melting Solid |
| Farbe | White |
| BRN | 114457 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3 |
| InChIKey | MGICRVTUCPFQQZ-UHFFFAOYSA-N |
| SMILES | CC1CC(=O)OC(=O)C1 |
| CAS Datenbank | 4166-53-4(CAS DataBase Reference) |
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29171900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Methylglutaric Anhydride is a reagent used in the synthesis of oxoeicosanoid receptor antagonists which are involved in mediating stimulatory effects on cell types involved in mediating immunity-based inflammatory reactions.