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1-(1,3-Benzodioxol-5-yl)butan-2-on
1-(1,3-benzodioxol-5-yl)butan-2-one · 2-Butanone, 1-(1,3-benzodioxol-5-yl)- · EINECS 245-384-2 · TIMTEC-BB SBB008632 · ETHYL PIPERONYL KETONE · 1-(1,3-benzodioxol-5-yl)-2-butanon · 4-(1,3-BENZODIOXOL-5-YL)-2-BUTANONE · 1-(1,3-benzodioxol-5-yl)-2-butanone
Identifikatoren & physikalische Daten
| CAS No. | 23023-13-4 |
|---|---|
| Summenformel | C11H12O3 |
| Durchschnittliche Molmasse | 192,21 g/mol |
| Monoisotopische Masse | 192,07864424 g/mol |
| SMILES | CCC(=O)Cc1ccc2c(c1)OCO2 |
| InChIKey | SWKXHWCUDGJLNA-UHFFFAOYSA-N |
| PubChem CID | 89964 |
| EC No. | 245-384-2 |
| DTXSID | DTXSID3066847 |
| Lokaler Name | 1-(1,3-Benzodioxol-5-yl)butan-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 215 |
| Siedepunkt | 98°C 0,1mm |
| Brechungsindex | 1.5375 |
| Flammpunkt | 98°C/0.1mm |
| Löslichkeit | It is insoluble in water. |
| BRN | 6508240 |
| EPA chemische Informationen | 2-Butanone, 1-(1,3-benzodioxol-5-yl)- (23023-13-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, 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. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Butanone, 1-(1,3-benzodioxol-5-yl)- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-24/25 |
Anwendungen & Verwendung
Verwenden
1-(3,4-Methylenedioxy)phenyl-2-butanone, is used as a pharmaceutical intermediate.