HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,1'-(2-Hydroxy-5-methyl-1,3-phenylene)di(ethan-1-one)
4-Methyl-2,6-diacetylphenol · 2,6-Diacetyl-4-methylphenol · 1-(3-acetyl-2-hydroxy-5-Methylphenyl)ethan-1-one · 1,1'-(2-Hydroxy-5-methyl-1,3-phenylene)diethanone · 1,1'-(2-Hydroxy-5-methyl-1,3-phenylene)bisethanone · Ethanone, 1,1'-(2-hydroxy-5-methyl-1,3-phenylene)bis-
Identifikatoren & physikalische Daten
| CAS No. | 55108-28-6 |
|---|---|
| Summenformel | C11H12O3 |
| Durchschnittliche Molmasse | 192,21 g/mol |
| Monoisotopische Masse | 192,07864424 g/mol |
| SMILES | CC(=O)c1cc(C)cc(C(C)=O)c1O |
| InChIKey | ZZKCEQUZROPKJT-UHFFFAOYSA-N |
| PubChem CID | 2305049 |
| EC No. | 997-879-4 |
| DTXSID | DTXSID00367923 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 223 |
| Schmelzpunkt | 82–83°C |
| Siedepunkt | 316.1±42.0 °C(Predicted) |
| Dichte | 1.149±0.06 g/cm3(Predicted) |
| Löslichkeit | Chloroform (Slightly), DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.67±0.23(Predicted) |
| Farbe | Pale Yellow to Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Herstellung & Synthese
synthetische
Preparation by Friedel–Crafts acylation of p-cresol with excess acetyl chloride in nitrobenzene in the presence of aluminium chloride, at 60° for 6 h (42%).