4-tert-Butyl-3-hydroxy-2,6-dimethylphenylacetonitrile
- Product Name4-tert-Butyl-3-hydroxy-2,6-dimethylphenylacetonitrile
- CAS55699-10-0
- MFC14H19NO
- MW217.31
- EINECS259-766-1
- MOL File55699-10-0.mol
Chemical Properties
| Melting point | 125 °C(Solv: ethanol (64-17-5)) |
| Boiling point | 341.3±37.0 °C(Predicted) |
| Density | 1.018±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | Chloroform (Sparingly), Ethyl Acetate (Slightly, Heated, Sonicated) |
| form | Solid |
| pka | 11.56±0.28(Predicted) |
| color | White to Pale Yellow |
| Major Application | pharmaceutical small molecule |
| InChI | 1S/C14H19NO/c1-9-8-12(14(3,4)5)13(16)10(2)11(9)6-7-15/h8,16H,6H2,1-5H3 |
| InChIKey | OUKJZHRCKQJXSU-UHFFFAOYSA-N |
| SMILES | N#CCc1c(c(c(cc1C)C(C)(C)C)O)C |
Safety Information
| WGK Germany | WGK 2 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Chronic 2 |