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p-Acetylphenylacetat
4-Acetylphenyl acetate · AI310544 · AI3 10544 · AI3-10544 · AKOS BBS-00003231 · TIMTEC-BB SBB005780 · 4-ACETYLPHENYL ACETA · p-Acetoxyacetophenone
Identifikatoren & physikalische Daten
| CAS No. | 13031-43-1 |
|---|---|
| Summenformel | C10H10O3 |
| Durchschnittliche Molmasse | 178,18 g/mol |
| Monoisotopische Masse | 178,06299418 g/mol |
| SMILES | CC(=O)Oc1ccc(C(C)=O)cc1 |
| InChIKey | SMIOEQSLJNNKQF-UHFFFAOYSA-N |
| PubChem CID | 83063 |
| ChEMBL | CHEMBL2271145 |
| ChEBI | CHEBI:86558 |
| EC No. | 235-894-3 |
| DTXSID | DTXSID9044534 |
| Lokaler Name | p-Acetylphenylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 202 |
| LogP (Verteilungskoeffizient) | 1.29 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Physical Description | Liquid |
| Schmelzpunkt | 51-55 °C |
| Siedepunkt | 165-170°C 14mm |
| Dichte | 1.1601 (rough estimate) |
| Brechungsindex | 1.5370 (estimate) |
| Flammpunkt | 165-170°C/14mm |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| Löslichkeit | Slightly soluble in water(4450 mg/L). |
| BRN | 2093080 |
| CAS Datenbank | 13031-43-1(CAS DataBase Reference) |
| NIST chemische Informationen | 4-CH3COO-C6H4-COCH3(13031-43-1) |
| EPA chemische Informationen | Ethanone, 1-[4-(acetyloxy)phenyl]- (13031-43-1) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Ethanone, 1-[4-(acetyloxy)phenyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 1-[4-(acetyloxy)phenyl]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance. |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29145090 |
| Sicherheitshinweise (S) | 24/25-22 |
Anwendungen & Verwendung
Verwenden
4'-Acetoxyacetophenone it can react with ethane-1,2-diol to get 2-(4-acetoxyphenyl)-2-methyl-1,3-dioxolane with yield is 67 %.
Herstellung & Synthese
synthetische
Preparation by acetylation of 4-hydroxyacetophenone with acetic anhydride, in the presence of aluminium triflate for 10 min at r.t. (98%); in the presence of sodium acetate.