HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Benzylcyclohexan-1-on
1,8-dimethylpicene · 2-BENZYLCYCLOHEXANONE · 2-benzylcyclohexan-1-one · 2-Benzylcyclohexanone 98% · 2-Benzylcyclohexane-1-one · 2-Benzylcyclohexanone,97% · 2-Benzylcyclohexan-1-one98% · 2-Benzylcyclohexan-1-one 98%
Identifikatoren & physikalische Daten
| CAS No. | 946-33-8 |
|---|---|
| Summenformel | C13H16O |
| Durchschnittliche Molmasse | 188,26 g/mol |
| Monoisotopische Masse | 188,12011513 g/mol |
| SMILES | O=C1CCCCC1Cc1ccccc1 |
| InChIKey | CUYLPYBYCYQGCE-UHFFFAOYSA-N |
| PubChem CID | 98945 |
| EC No. | 213-420-6 |
| DTXSID | DTXSID501314740 |
| Lokaler Name | 2-Benzylcyclohexan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 191 |
| Schmelzpunkt | 28-30°C |
| Siedepunkt | 103-105 °C/0.2 mmHg (lit.) |
| Dichte | 1.024 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.536(lit.) |
| Flammpunkt | >230 °F |
| BRN | 2046670 |
| InChI | 1S/C13H16O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2 |
| InChIKey | CUYLPYBYCYQGCE-UHFFFAOYSA-N |
| SMILES | O=C1CCCCC1Cc2ccccc2 |
| CAS Datenbank | 946-33-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2914390090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-Benzylcyclohexanone may be used in the preparation of ethyl 1-hydroxy-2-benzylcyclohexylacetate.