2,4,4-Trimethyl-1-pentanol
- Product Name2,4,4-Trimethyl-1-pentanol
- CAS16325-63-6
- MFC8H18O
- MW130.23
- EINECS240-403-0
- MOL File16325-63-6.mol
Chemical Properties
| Melting point | -61.15°C (estimate) |
| Boiling point | 168-169 °C740 mm Hg(lit.) |
| Density | 0.818 g/mL at 25 °C(lit.) |
| refractive index | n |
| Flash point | 140 °F |
| pka | 15.03±0.10(Predicted) |
| form | liquid |
| Henry's Law Constant | 5.2×10-2 mol/(m3Pa) at 25℃, Gharagheizi et al. (2012) |
| InChI | 1S/C8H18O/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3 |
| InChIKey | ZNRVRWHPZZOTIE-UHFFFAOYSA-N |
| SMILES | CC(CO)CC(C)(C)C |
| LogP | 2.450 (est) |
Safety Information
| Safety Statements | 24/25 |
| RIDADR | UN 1987 3/PG 3 |
| WGK Germany | 3 |
| HazardClass | 3.2 |
| PackingGroup | III |
| HS Code | 29051900 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Flam. Liq. 3 |