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Cyclohexylphenylketon
CYCLOHEXYL PHENYL KETONE · Cyclohexyl(phenyl)methanone · usafkf-3 · USAF KF-3 · Benzoylcyclohexan · BENZOYLCYCLOHEXANE · TIMTEC-BB SBB007832 · PHENYLCYCLOHEXYL KETONE
Identifikatoren & physikalische Daten
| CAS No. | 712-50-5 |
|---|---|
| Summenformel | C13H16O |
| Durchschnittliche Molmasse | 188,26 g/mol |
| Monoisotopische Masse | 188,12011513 g/mol |
| SMILES | O=C(c1ccccc1)C1CCCCC1 |
| InChIKey | BMFYCFSWWDXEPB-UHFFFAOYSA-N |
| PubChem CID | 12837 |
| ChEMBL | CHEMBL3188506 |
| EC No. | 211-923-5 |
| DTXSID | DTXSID5048182 |
| Lokaler Name | Cyclohexylphenylketon |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 185 |
| Kovats Retention Index | 16081586.2 |
| Schmelzpunkt | 55-57 °C (lit.) |
| Siedepunkt | 165-168°C 20mm |
| Dichte | 0.9671 (rough estimate) |
| Brechungsindex | 1.5435 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)18.2mg/L at 20℃ |
| Aggregatzustand | Solid |
| Farbe | Light Brown to Brown |
| BRN | 2046712 |
| InChI | 1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2 |
| InChIKey | BMFYCFSWWDXEPB-UHFFFAOYSA-N |
| SMILES | O=C(C1CCCCC1)c2ccccc2 |
| LogP (Verteilungskoeffizient) | 3.7 at 20℃ |
| CAS Datenbank | 712-50-5(CAS DataBase Reference) |
| NIST chemische Informationen | Phenyl cyclohexyl ketone(712-50-5) |
| EPA chemische Informationen | Methanone, cyclohexylphenyl- (712-50-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | H411 (99.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 120 reports by companies from 2 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1898Methanone, cyclohexylphenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Aquatic Chronic 2 (99.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29143900 |
| RTECS-Nr. | OB1760000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Cyclohexyl phenyl ketone was used to investigate the crosslinked cyclohexyl phenyl compounds under thermal and aquathermal conditions. It was used to examine the effects of molecular changes in the benzophenone molecule on phototoxic behavior.