39742-60-4
| Name | 1-Phenethyl-4-piperidone |
| CAS | 39742-60-4 |
| EINECS(EC#) | 254-613-5 |
| Molecular Formula | C13H17NO |
| MDL Number | MFCD00006193 |
| Molecular Weight | 203.28 |
| MOL File | 39742-60-4.mol |
Chemical Properties
| Appearance | YELLOW-BROWN CRYSTALLINE POWDER |
| Melting point | 57-60 °C(lit.) |
| Boiling point | 341.6°C (rough estimate) |
| density | 1.0156 (rough estimate) |
| refractive index | 1.5400 (estimate) |
| storage temp. | Store below +30°C. |
| solubility | ethanol: soluble, clear to hazy, light yellow to yellow (50 mg/mL) |
| form | A crystalline solid |
| pka | 8.02±0.20(Predicted) |
| BRN | 130302 |
| InChI | 1S/C13H17NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2 |
| InChIKey | YDJXNYNKKXZBMP-UHFFFAOYSA-N |
| SMILES | O=C1CCN(CC1)CCc2ccccc2 |
| CAS DataBase Reference | 39742-60-4(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P264-P270-P301+P312a-P330-P501a |
| Hazard Codes | Xn,C,F |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | TN8990300 |
| F | 10 |
| REACH Registrations | Active |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29333999 |
| Storage Class | 11 - Combustible Solids |