HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(6-Hydroxy-2,3,4-trimethoxyphenyl)ethan-1-one
1-(6-Hydroxy-2,3,4-trimethoxyphenyl)ethan-1-one · 2,3,4-Trimethoxy-6-hydroxyacetophenone · 6-HYDROXY-2,3,4-TRIMETHOXYACETOPHENONE · 2,3,4-TRIMETHOXY-6-HYDROXYACETOPHENONE 97% · 6-HYDROXY-2,3,4-TRIMETHOXYACET OPHENONE 97% · 1-(6-Hydroxy-2,3,4-trimethoxyphenyl)ethanone · Ethanone, 1-(6-hydroxy-2,3,4-trimethoxyphenyl)-
Identifikatoren & physikalische Daten
| CAS No. | 22248-14-2 |
|---|---|
| Summenformel | C11H14O5 |
| Durchschnittliche Molmasse | 226,23 g/mol |
| SMILES | COc1cc(O)c(C(C)=O)c(OC)c1OC |
| InChIKey | MLYYVUJNBLMMPE-UHFFFAOYSA-N |
| PubChem CID | 9899375 |
| EC No. | 847-981-9 |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 65 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 243 |
| Schmelzpunkt | 164–165°C |
| Siedepunkt | 184-186 °C(Press: 27 Torr) |
| Dichte | 1.181±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 9.92±0.28(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
6-Hydroxy-2,3,4-trimethoxyacetophenone is an intermediate in synthesizing Eupatorin 5-Methyl Ether (E938850), Sinensetin, eupatorin, 3''-hydroxy-5,6,7,4''-tetramethoxyflavone and rosmarinic acid contents and antioxidative effect of Orthosiphon stamineus from Malaysia.
Herstellung & Synthese
synthetische
Preparation by Fries rearrangement of antiarol acetate (3,4,5-trimethoxyphenyl acetate) with aluminium chloride in nitrobenzene at r.t. (54%).