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4-tert-Butylphenoxyacetic acid Structure

4-tert-Butylphenoxyacetic acid

Chemical Properties

Melting point 96 °C(lit.)
Boiling point 325.4±25.0 °C(Predicted)
Density  1.088±0.06 g/cm3(Predicted)
storage temp.  Storage temp. 2-8°C
solubility  Sparingly Soluble (0.56 g/L) (25°C), Calc.
pka 3.22±0.10(Predicted)
Appearance Off-white to light yellow Solid
BRN  2368208
InChI InChI=1S/C12H16O3/c1-12(2,3)9-4-6-10(7-5-9)15-8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)
InChIKey FBIGAJNVRFKBJL-UHFFFAOYSA-N
SMILES C(O)(=O)COC1=CC=C(C(C)(C)C)C=C1
CAS DataBase Reference 1798-04-5(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37/39
WGK Germany  3
HazardClass  IRRITANT

MSDS

Usage And Synthesis

4-tert-Butylphenoxyacetic acid Supplier