2-Allylcyclohexanone
- Product Name2-Allylcyclohexanone
- CAS94-66-6
- MFC9H14O
- MW138.21
- EINECS202-352-2
- MOL File94-66-6.mol
Chemical Properties
| Boiling point | 94 °C/23 mmHg (lit.) |
| Density | 0.927 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point | >230 °F |
| storage temp. | 2-8°C, stored under nitrogen |
| form | clear liquid |
| color | Colorless to Light yellow to Light orange |
| Specific Gravity | 0.927 |
| Water Solubility | Insoluble |
| InChI | 1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2,8H,1,3-7H2 |
| InChIKey | UPGHEUSRLZSXAE-UHFFFAOYSA-N |
| SMILES | C=CCC1CCCCC1=O |
| CAS DataBase Reference | 94-66-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Cyclohexanone, 2-(2-propenyl)-(94-66-6) |
| EPA Substance Registry System | Cyclohexanone, 2-(2-propenyl)- (94-66-6) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 22-26-36/37/39-45-37/39 |
| RIDADR | UN 3077 |
| WGK Germany | 3 |
| TSCA | TSCA listed |
| HS Code | 29142990 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
