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1,3-Diethyl 2-acetylpropanedioate
Diethyl 2-acetylmalonate · ETHYL ACETYLMALONATE · Ethyl acetomalonate · CAS:570-08-1 · AKOS MSC-0248 · DIETHYL ACETOMALONATE · C-Acetylmalonic ester · acetyldiethylMalonate
Identifikatoren & physikalische Daten
| CAS No. | 570-08-1 |
|---|---|
| Summenformel | C9H14O5 |
| Durchschnittliche Molmasse | 202,2 g/mol |
| Monoisotopische Masse | 202,08412355 g/mol |
| SMILES | CCOC(=O)C(C(C)=O)C(=O)OCC |
| InChIKey | SQAUUQRBOCJRCW-UHFFFAOYSA-N |
| PubChem CID | 136365 |
| EC No. | 681-012-9 |
| DTXSID | DTXSID70205606 |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 69,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 215 |
| SpringerMaterials Properties | Boiling point |
| Siedepunkt | 119-120°C 17mm |
| Dichte | 1.0834 |
| Brechungsindex | 1.4435 (estimate) |
| Flammpunkt | 119-120°C/17mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, MethanolNot miscible in water. |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 8.08±0.46(Predicted) |
| Farbe | Clear Colorless |
| BRN | 1781401 |
| InChI | InChI=1S/C9H14O5/c1-4-13-8(11)7(6(3)10)9(12)14-5-2/h7H,4-5H2,1-3H3 |
| InChIKey | SQAUUQRBOCJRCW-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(C(C)=O)C(OCC)=O |
| CAS Datenbank | 570-08-1(CAS DataBase Reference) |
| NIST chemische Informationen | Propanedioic acid, acetyl-, diethyl ester(570-08-1) |
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 29171900 |
| R-Sätze (R) | 36/38 |
| Sicherheitshinweise (S) | 26-36-37 |
Anwendungen & Verwendung
Verwenden
Diethyl acetylmalonate is used as pharmaceutical intermediates.