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Ethyl 4-acetylbenzoate
RARECHEM AL BI 0879 · Ethyl4-acetylbenzoat · ETHYL P-ACETYLBENZOATE · ETHYL 4-ACETYLBENZOATE · ethyle4-acetylbenzoate · Ethyl 4-acetylbenzoate,99% · 4'-(Ethoxycarbonyl)acetophenone · p-Acetylbenzoic acid ethyl ester
Identifikatoren & physikalische Daten
| CAS No. | 38430-55-6 |
|---|---|
| Summenformel | C11H12O3 |
| Durchschnittliche Molmasse | 192,21 g/mol |
| Monoisotopische Masse | 192,07864424 g/mol |
| SMILES | CCOC(=O)c1ccc(C(C)=O)cc1 |
| InChIKey | GLOAPLPTWAXAIG-UHFFFAOYSA-N |
| PubChem CID | 600911 |
| EC No. | 639-831-4 |
| DTXSID | DTXSID90344980 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 215 |
| Schmelzpunkt | 55-57 °C(lit.) |
| Siedepunkt | 310.0±25.0 °C(Predicted) |
| Dichte | 1.096±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to beige |
| InChI | 1S/C11H12O3/c1-3-14-11(13)10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3 |
| InChIKey | GLOAPLPTWAXAIG-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccc(cc1)C(C)=O |
| CAS Datenbank | 38430-55-6 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.Not ClassifiedAggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29189990 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Ethyl 4-acetylbenzoate is used as a reagent to synthesize pyrazoles (e.g. 1H-Pyrazole [P842195]). Ethyl 4-acetylbenzoate is also used as a reagent to synthesize chiral hydrazines (e.g. (S)-[2-(Benzyloxy)propylidene]hydrazinecarboxaldehyde [B288000]) from the catalytic enantioselective hydrogenation of N-alkoxycarbonyl hydrazones.