3-METHYL-3-OCTANOL
- Product Name3-METHYL-3-OCTANOL
- CAS5340-36-3
- MFC9H20O
- MW144.25
- EINECS226-276-4
- MOL File5340-36-3.mol
Chemical Properties
| Melting point | 6.15°C (estimate) |
| Boiling point | 127 °C (lit.) |
| Density | 0.822 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point | 163 °F |
| pka | 15.51±0.29(Predicted) |
| Henry's Law Constant | 5.4×10-2 mol/(m3Pa) at 25℃, Yaws (2003) |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 |
| InChIKey | JEWXYDDSLPIBBO-UHFFFAOYSA-N |
| SMILES | CCCCCC(C)(O)CC |
| LogP | 3.132 (est) |
| CAS DataBase Reference | 5340-36-3(CAS DataBase Reference) |
| EPA Substance Registry System | 3-Octanol, 3-methyl- (5340-36-3) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 2 |
| RTECS | RH1405000 |
| TSCA | TSCA listed |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |