4-Propylcyclohexanone
- Product Name4-Propylcyclohexanone
- CAS40649-36-3
- MFC9H16O
- MW140.22
- EINECS406-810-4
- MOL File40649-36-3.mol
Chemical Properties
| Melting point | 32.57°C (estimate) |
| Boiling point | 115°C 36mm |
| Density | 0.907 g/mL at 20 °C (lit.) |
| vapor pressure | 0.23 hPa (20 °C) |
| refractive index | n |
| Flash point | 86°C |
| storage temp. | Store below +30°C. |
| solubility | 1.96g/l |
| form | clear liquid |
| color | Colorless to Almost colorless |
| PH | 6.0 (2g/l, H2O, 20℃) |
| Water Solubility | 1.96g/L at 20℃ |
| BRN | 2076023 |
| InChI | 1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3 |
| InChIKey | NQEDLIZOPMNZMC-UHFFFAOYSA-N |
| SMILES | CCCC1CCC(=O)CC1 |
| LogP | 2.6 at 20℃ |
| CAS DataBase Reference | 40649-36-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 38-52/53 |
| Safety Statements | 25-37-61 |
| RIDADR | NA 1993 / PGIII |
| WGK Germany | 1 |
| Autoignition Temperature | 320 °C |
| Hazard Note | Irritant |
| HS Code | 29142900 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Aquatic Chronic 3 Skin Irrit. 2 Skin Sens. 1B |
| Toxicity | LD50 orally in Rabbit: > 2000 mg/kg |