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Dicyclohexylketon
Methanone, dicyclohexyl- · Dicyclohexylmethanone · NSC 60007 · NSC 49725 · Cyclohexyl ketone · Cyclohexane ketone · Bicyclohexyl Ketone · ketone,dicyclohexyl
Identifikatoren & physikalische Daten
| CAS No. | 119-60-8 |
|---|---|
| Summenformel | C13H22O |
| Durchschnittliche Molmasse | 194,31 g/mol |
| Monoisotopische Masse | 194,16706532 g/mol |
| SMILES | O=C(C1CCCCC1)C1CCCCC1 |
| InChIKey | TWXWPPKDQOWNSX-UHFFFAOYSA-N |
| PubChem CID | 8403 |
| EC No. | 204-336-0 |
| DTXSID | DTXSID7059488 |
| Lokaler Name | Dicyclohexylketon |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 165 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 57°C |
| Siedepunkt | 138 °C/13 mmHg (lit.) |
| Dichte | 0.986 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.485(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| InChI | InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2 |
| InChIKey | TWXWPPKDQOWNSX-UHFFFAOYSA-N |
| SMILES | C(C1CCCCC1)(C1CCCCC1)=O |
| CAS Datenbank | 119-60-8(CAS DataBase Reference) |
| EPA chemische Informationen | Methanone, dicyclohexyl- (119-60-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.DangerH202 (25%): (Deleted) Explosivesevere projection hazard [Danger Explosives]P210, P230, P240, P250, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P370+P380, P372, P373, P401, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: Dicyclohexyl ketone (EC: 204-336-0)Methanone, dicyclohexyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29142990 |
| RTECS-Nr. | OB1804500 |
| Toxizität | mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#06751, |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Dicyclohexyl Ketone (cas# 119-60-8) is a compound useful in organic synthesis.