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Ethylacetoacetat, natriumsalz
Butanoic acid, 2-oxo-, ethyl ester · Ai3-08324 · Einecs 240-071-7 · Ethyl2-oxobutyrate,90% · 2-Oxobutyric acid ethyl ester · 2-ketobutyric acid ethyl ester · 2-Oxobutanoic acid ethyl ester · Ethyl acetoacetate sodium salt
Identifikatoren & physikalische Daten
| CAS No. | 15933-07-0 |
|---|---|
| Summenformel | C6H10O3 |
| Durchschnittliche Molmasse | 130,14 g/mol |
| Monoisotopische Masse | 130,06299418 g/mol |
| SMILES | CCOC(=O)C(=O)CC |
| InChIKey | FJAKCEHATXBFJT-UHFFFAOYSA-N |
| PubChem CID | 85195 |
| ChEMBL | CHEMBL170142 |
| EC No. | 240-071-7 |
| DTXSID | DTXSID40166639 |
| Lokaler Name | Ethylacetoacetat, natriumsalz |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 117 |
| Schmelzpunkt | 168 ºC (DEC.) |
| Siedepunkt | 162.05°C (estimate) |
| Dichte | 1.1066 (rough estimate) |
| Brechungsindex | 1.4730 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Liquid |
| Farbe | Pale yellow |
| InChI | InChI=1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3-4H2,1-2H3 |
| InChIKey | FJAKCEHATXBFJT-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(=O)CC |
| CAS Datenbank | 15933-07-0 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (100%) |
| Zollcode | 2918300090 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Ethyl 2-oxobutanoate