HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethylacetylphenylacetat
ETHYL 3-OXO-2-PHENYLBUTANOATE · 2-Phenylacetoacetic acid ethyl ester · 2-Phenylacetoacetate · ethyl 2-phenyl-3-oxobutanoate · Benzeneacetic acid, a-acetyl-, ethyl ester · a-acetyl- · 99% Pure BMK · Bmk powder/oil
Identifikatoren & physikalische Daten
| CAS No. | 5413-05-8 |
|---|---|
| Summenformel | C12H14O3 |
| Durchschnittliche Molmasse | 206,24 g/mol |
| Monoisotopische Masse | 206,09429431 g/mol |
| SMILES | CCOC(=O)C(C(C)=O)c1ccccc1 |
| InChIKey | PWRUKIPYVGHRFL-UHFFFAOYSA-N |
| PubChem CID | 95389 |
| EC No. | 226-500-0 |
| DTXSID | DTXSID901370796 |
| Lokaler Name | Ethylacetylphenylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 229 |
| Schmelzpunkt | 140-144°C/10mm |
| Siedepunkt | 140-144°C 10mm |
| Dichte | 1,085 g/cm3 |
| Brechungsindex | 1.5130 |
| Flammpunkt | 140-144°C/10mm |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 10.69±0.46(Predicted) |
| Farbe | Colourless to Pale Brown |
| BRN | 1912655 |
| InChI | InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3 |
| InChIKey | PWRUKIPYVGHRFL-UHFFFAOYSA-N |
| SMILES | C(C(=O)C)(C(=O)OCC)C1C=CC=CC=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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Ethyl acetylphenylacetate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
Ethyl 2-Phenylacetoacetate is used in preparation of iridium polysubstituted quinoline diketonate complex and application as OLED.