HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2',5'-Dimethoxy-4'-methylacetophenone
2,5-Dimethoxy-4-methylacetophenone · 2',5'-DIMETHOXY-4'-METHYLACETOPHENONE · 1-(2,5-DiMethoxy-4-Methylphenyl)ethanone · Ethanone, 1-(2,5-dimethoxy-4-methylphenyl)-
Identifikatoren & physikalische Daten
| CAS No. | 13720-58-6 |
|---|---|
| Summenformel | C11H14O3 |
| Durchschnittliche Molmasse | 194,23 g/mol |
| Monoisotopische Masse | 194,0942943 g/mol |
| SMILES | COc1cc(C(C)=O)c(OC)cc1C |
| InChIKey | SVRFSXJNHLDZGD-UHFFFAOYSA-N |
| PubChem CID | 3390948 |
| EC No. | 661-332-5 |
| DTXSID | DTXSID10392064 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 203 |
| Schmelzpunkt | 76°C |
| Siedepunkt | 296.8±35.0 °C(Predicted) |
| Dichte | 1.048±0.06 g/cm3(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H319 |
Herstellung & Synthese
synthetische
Obtained by action of dimethyl sulfate with 2,5-dihydroxy-4-methylacetophenone in the presence of potassium carbonate in refluxing acetone for 7 h (50%).