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Cyclohexylaceton
1-cyclohexylpropan-2-one · Cyclohexyacetone · Cyclohexylacetone · ACETONYLCYCLOHEXANE · 1-Cyclohexylacetone · Cyclohexyacetone,97% · Cyclohexyl-2-propanone · 1-cyclohexyl-2-propanon
Identifikatoren & physikalische Daten
| CAS No. | 103-78-6 |
|---|---|
| Summenformel | C9H16O |
| Durchschnittliche Molmasse | 140,22 g/mol |
| Monoisotopische Masse | 140,12011513 g/mol |
| SMILES | CC(=O)CC1CCCCC1 |
| InChIKey | UHBZEAPZATVYKV-UHFFFAOYSA-N |
| PubChem CID | 66899 |
| EC No. | 203-143-9 |
| DTXSID | DTXSID2059279 |
| Lokaler Name | Cyclohexylaceton |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 112 |
| Schmelzpunkt | 116℃ |
| Siedepunkt | 198-200°C |
| Dichte | 0,905 g/cm3 |
| Brechungsindex | 1.4528 |
| Flammpunkt | 198-200°C |
| Lagerbedingungen | Storage temp. 2-8°C |
| Aggregatzustand | solid |
| BRN | 1209723 |
| InChI | 1S/C9H16O/c1-8(10)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3 |
| InChIKey | UHBZEAPZATVYKV-UHFFFAOYSA-N |
| SMILES | CC(=O)CC1CCCCC1 |
| LogP (Verteilungskoeffizient) | 2.430 (est) |
| CAS Datenbank | 103-78-6(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Propanone, 1-cyclohexyl- (103-78-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH227 (50%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Propanone, 1-cyclohexyl- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Flam. Liq. 4 (50%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| TSCA-Inventar-Status | TSCA listed |
| R-Sätze (R) | 25-36-52 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 24/25-45-26 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 OralAquatic Chronic 3Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
1-Cyclohexyl-2-propanone is a useful reagent for organic synthesis.