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Ethyl-2,2-dimethylacetoacetat
ETHYL 2,2-DIMETHYL-3-OXOBUTANOATE · ethyl 2,2-dimethylacetoacetate · 2,2-dimethyl-3-oxo-butanoicacidethylester · 2,2-DIMETHYL-3-OXO-BUTYRIC ACID ETHYL ESTER · 3-keto-2,2-dimethyl-butyric acid ethyl ester · Butanoic acid, 2,2-dimethyl-3-oxo-, ethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 597-04-6 |
|---|---|
| Summenformel | C8H14O3 |
| Durchschnittliche Molmasse | 158,19 g/mol |
| Monoisotopische Masse | 158,0942943 g/mol |
| SMILES | CCOC(=O)C(C)(C)C(C)=O |
| InChIKey | NVAHZHOCRQCUBY-UHFFFAOYSA-N |
| PubChem CID | 69002 |
| EC No. | 209-892-8 |
| DTXSID | DTXSID00208403 |
| Lokaler Name | Ethyl-2,2-dimethylacetoacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 170 |
| SpringerMaterials Properties | Density |
| Siedepunkt | 182°C (estimate) |
| Dichte | 0.9759 |
| Brechungsindex | 1.4180 |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Chloroform (Slightly), Dichloromethane (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Clear Colorless |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (50%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (50%) |
| Zollcode | 2918999090 |
Anwendungen & Verwendung
Verwenden
2,2-Dimethyl-acetoacetic Acid Ethyl Ester is used in the synthesis of esters of α,α-dimethyl-β-keto acids.