Basic information Safety Related Supplier
4-tert-Butyl-3-hydroxy-2,6-dimethylphenylacetonitrile Structure

4-tert-Butyl-3-hydroxy-2,6-dimethylphenylacetonitrile

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

Usage And Synthesis

4-tert-Butyl-3-hydroxy-2,6-dimethylphenylacetonitrile Supplier