HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dion
4,4-Dimethyldihydro-2H-pyran-2,6(3H)-dione · 2H-Pyran-2,6(3H)-dione, dihydro-4,4-diMethyl- · GEPI-005 · MONO-002 · 4,4-dimethyloxane-2,6-dione · 3,3-Dimethyladipic anhydride · 3,3-Dimethylglutaric anhydride · 3,3'-DIMETHYL GLUTARIC ANHYDRIDE
Identifikatoren & physikalische Daten
| CAS No. | 4160-82-1 |
|---|---|
| Summenformel | C7H10O3 |
| Durchschnittliche Molmasse | 142,15 g/mol |
| Monoisotopische Masse | 142,06299418 g/mol |
| SMILES | CC1(C)CC(=O)OC(=O)C1 |
| InChIKey | HIJQFTSZBHDYKW-UHFFFAOYSA-N |
| PubChem CID | 77813 |
| EC No. | 223-998-1 |
| DTXSID | DTXSID4063327 |
| Lokaler Name | Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dion |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 163 |
| Schmelzpunkt | 124-126 °C (lit.) |
| Siedepunkt | 181 °C/25 mmHg (lit.) |
| Dichte | 1.1643 (rough estimate) |
| Brechungsindex | 1.4730 (estimate) |
| Flammpunkt | 181°C/25mm |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to off-white |
| InChI | InChI=1S/C7H10O3/c1-7(2)3-5(8)10-6(9)4-7/h3-4H2,1-2H3 |
| InChIKey | HIJQFTSZBHDYKW-UHFFFAOYSA-N |
| SMILES | C1(=O)OC(=O)CC(C)(C)C1 |
| CAS Datenbank | 4160-82-1(CAS DataBase Reference) |
| EPA chemische Informationen | 2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl- (4160-82-1) |
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%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29171990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3,3-Dimethylglutaric Anhydride acts as a reagent for the synthesis of piscidinol A derivatives and their ability to inhibit HIV-1 protease.