HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Ethylcyclohexanone
Cyclohexanone, 2-ethyl- · 2-ethylcyclohexan-1-one · 2-Ethylcyclohexanone · 2-Ethylcyclohexanone ,97%
Identifikatoren & physikalische Daten
| CAS No. | 4423-94-3 |
|---|---|
| Summenformel | C8H14O |
| Durchschnittliche Molmasse | 126,2 g/mol |
| Monoisotopische Masse | 126,10446507 g/mol |
| SMILES | CCC1CCCCC1=O |
| InChIKey | WKYYYUWKFPFVEY-UHFFFAOYSA-N |
| PubChem CID | 20474 |
| ChEMBL | CHEMBL330114 |
| EC No. | 963-705-0 |
| DTXSID | DTXSID101017021 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 107 |
| Schmelzpunkt | 110-112 °C(Solv: benzene (71-43-2)ligroine (8032-32-4)(1:1)) |
| Siedepunkt | 67 °C(Press: 13 Torr) |
| Dichte | 0.9224 g/cm3(Temp: 16 °C) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in alcohol. Insoluble in water. |
| LogP (Verteilungskoeffizient) | 1.866 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 | Flam. Liq. 4 (100%) |
| Sicherheitshinweise (S) | 23-24/25 |
Anwendungen & Verwendung
Verwenden
2-Ethylcyclohexanone is used as a pharmaceutical intermediate. 2-Methyl and 2-ethyl derivatives of cyclohexanone were allowed to react with deuterium in tBuOD using platinum group metals as catalysts to study the substituent effects in heterogeneous catalysis.