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2-Methoxyethylacetoacetat
ACMOE · 2-MOA · Nitrendipine Impurity R · Methoxyethyl acetoacetat · Methoxyethylacetoacetate · Acetoacetate Methoxyethyl · 2-Methoxyethylacetoacetat · 2-METHOXYETHYL ACETOACETATE
Identifikatoren & physikalische Daten
| CAS No. | 22502-03-0 |
|---|---|
| Summenformel | C7H12O4 |
| Durchschnittliche Molmasse | 160,17 g/mol |
| Monoisotopische Masse | 160,07355886 g/mol |
| SMILES | COCCOC(=O)CC(C)=O |
| InChIKey | PLHCSZRZWOWUBW-UHFFFAOYSA-N |
| PubChem CID | 89734 |
| EC No. | 245-043-8 |
| DTXSID | DTXSID20177026 |
| Lokaler Name | 2-Methoxyethylacetoacetat |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 141 |
| Siedepunkt | 120 °C20 mm Hg(lit.) |
| Dichte | 1.09 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.434(lit.) |
| Flammpunkt | 218 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 10.37±0.46(Predicted) |
| Farbe | clear |
| Löslichkeit | 100g/L at 20℃ |
| BRN | 2079850 |
| InChI | 1S/C7H12O4/c1-6(8)5-7(9)11-4-3-10-2/h3-5H2,1-2H3 |
| InChIKey | PLHCSZRZWOWUBW-UHFFFAOYSA-N |
| SMILES | COCCOC(=O)CC(C)=O |
| LogP (Verteilungskoeffizient) | -0.070 (est) |
| CAS Datenbank | 22502-03-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.8%): 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. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 30-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10800 |
| Hazard Classes and Categories | Skin Irrit. 2 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29183000 |
| R-Sätze (R) | 60-61-36/37/38 |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 53-26-45-24/25-37/39 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT SE 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Methoxyethyl acetoacetate is used as intermediate for the syntheses of organic chemicals and pharmaceuticals (e.g. Nimodipine). Product Data Sheet