HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Cyclopentyl methyl ketone
1-cyclopentylethan-1-one · ethanone, 1-cyclopentyl- · Acetylcyclopentane · CYCLOPENTYLETHANONE · 1-Acetylcyclopentane · 1-CYCLOPENTYL-ETHANONE · Cyclopentyl(methyl) ketone · Ketone, cyclopentyl methyl
Identifikatoren & physikalische Daten
| CAS No. | 6004-60-0 |
|---|---|
| Summenformel | C7H12O |
| Durchschnittliche Molmasse | 112,17 g/mol |
| Monoisotopische Masse | 112,088815 g/mol |
| SMILES | CC(=O)C1CCCC1 |
| InChIKey | LKENTYLPIUIMFG-UHFFFAOYSA-N |
| PubChem CID | 22326 |
| ChEMBL | CHEMBL5271012 |
| EC No. | 831-763-5 |
| DTXSID | DTXSID20208768 |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 90,6 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 115-116 °C(Solvent: Ethanol) |
| Siedepunkt | 151-156℃ |
| Dichte | 0.913 |
| Brechungsindex | 1.4435 |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Miscible with water. |
| InChI | InChI=1S/C7H12O/c1-6(8)7-4-2-3-5-7/h7H,2-5H2,1H3 |
| InChIKey | LKENTYLPIUIMFG-UHFFFAOYSA-N |
| SMILES | C(=O)(C1CCCC1)C |
| LogP (Verteilungskoeffizient) | 1.340 (est) |
| NIST chemische Informationen | Ethanone, 1-cyclopentyl-(6004-60-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P351+P338, P330, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (66.7%) |
| Zollcode | 2914290090 |
| R-Sätze (R) | 22-36 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
Cyclopentyl methyl ketone acts as a ligand for Suzuki coupling. Further, it reacts with benzo[1,2,5]oxadiazole 1-oxide to prepare 3-methylspiro(chinoxalin-2(3H),1'-cyclopentan)-3-amin-1,4-dioxide.