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Phenoxyaceton
ω-Acetoanisole · PHENOXYACETONE · phenoxyethylone · 1-Phenoxyacetone · Phenoxyacetone>phenoxy-2-propanon · Phenoxyacetone,99% · PHENOXY-2-PROPANONE · 1-phenoxy-2-propanon
Identifikatoren & physikalische Daten
| CAS No. | 621-87-4 |
|---|---|
| Summenformel | C9H10O2 |
| Durchschnittliche Molmasse | 150,17 g/mol |
| Monoisotopische Masse | 150,06807956 g/mol |
| SMILES | CC(=O)COc1ccccc1 |
| InChIKey | QWAVNXZAQASOML-UHFFFAOYSA-N |
| PubChem CID | 69313 |
| EC No. | 210-712-5 |
| DTXSID | DTXSID3060740 |
| Lokaler Name | Phenoxyaceton |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 126 |
| SpringerMaterials Properties | Optical coefficient |
| LogP (Verteilungskoeffizient) | 1.04 |
| Siedepunkt | 229-230 °C(lit.) |
| Dichte | 1.097 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.521(lit.) |
| Flammpunkt | 185 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless to Pale Yellow |
| BRN | 1862985 |
| InChI | 1S/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey | QWAVNXZAQASOML-UHFFFAOYSA-N |
| SMILES | CC(=O)COc1ccccc1 |
| LogP (Verteilungskoeffizient) | 1.040 |
| CAS Datenbank | 621-87-4(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Propanone, 1-phenoxy- (621-87-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29145000 |
| RTECS-Nr. | UC3387525 |
| R-Sätze (R) | 23 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 45 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Phenoxy-2-propanone is a general chemical reagent used in the preparation of α-arylthio ketones via DL-proline.