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3-tert-Butyl-4-hydroxyanisole Structure

3-tert-Butyl-4-hydroxyanisole

Chemical Properties

Melting point 58-64 °C
Boiling point 269℃
Density  1.009
vapor pressure  1.33 hPa (105 °C)
refractive index  1.4708 (estimate)
Flash point 110 °C
storage temp.  Store below +30°C.
solubility  ethanol: soluble1g/10 mL, clear, colorless to faint yellow or tan
form  Powder/Waxy Solid
pka 11.83±0.18(Predicted)
color  White to off-white
PH 4.8 (25°C, 10g/L in H2O)
Water Solubility  610-3400mg/L at 27-29℃
BRN  1867499
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
InChIKey MRBKEAMVRSLQPH-UHFFFAOYSA-N
SMILES COc1ccc(O)c(c1)C(C)(C)C
LogP 1-2.82 at 25-27℃
CAS DataBase Reference 121-00-6(CAS DataBase Reference)
EPA Substance Registry System Phenol, 2-(1,1-dimethylethyl)-4-methoxy- (121-00-6)

Safety Information

Risk Statements  36/37/38
Safety Statements  26-36/37/39
RIDADR  3077
WGK Germany  2
RTECS  SK1575000
TSCA  TSCA listed
HS Code  2909 50 00
HazardClass  9
PackingGroup  III
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 2
Hazardous Substances Data 121-00-6(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 880 mg/kg

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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