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tert-Butyl peroxybenzoate Structure

tert-Butyl peroxybenzoate

Chemical Properties

Melting point 8 °C
Boiling point 75-76 °C/0.2 mmHg (lit.)
Density  1.021 g/mL at 25 °C (lit.)
vapor density  6.7 (vs air)
vapor pressure  3.36 mm Hg ( 50 °C)
refractive index  n20/D 1.499(lit.)
Flash point 200 °F
storage temp.  2-8°C
solubility  water: soluble1.18g/L
form  Liquid
color  Clear yellow
Odor mild aromatic odor
Water Solubility  Immiscible
BRN  1342734
Henry's Law Constant 4.7×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
Stability Stable. Combustible. Incompatible with a wide range of organic materials - oxidizer. May react violently with organic compounds.
Cosmetics Ingredients Functions UV ABSORBER
InChI 1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey GJBRNHKUVLOCEB-UHFFFAOYSA-N
SMILES CC(C)(C)OOC(=O)c1ccccc1
LogP 3 at 25℃
CAS DataBase Reference 614-45-9(CAS DataBase Reference)
NIST Chemistry Reference tert-Butyl peroxybenzoate(614-45-9)
EPA Substance Registry System tert-Butyl perbenzoate (614-45-9)

Safety Information

Hazard Codes  O,Xi,E,N
Risk Statements  7-38-2-50-43
Safety Statements  7-14-36/37/39-47-37-17-61-39-35-26
RIDADR  UN 3103 5.2
WGK Germany  2
RTECS  SD9450000
TSCA  TSCA listed
HazardClass  5.2
PackingGroup  II
HS Code  29163900
Storage Class 4.1A - Other explosive hazardous materials
Hazard Classifications Acute Tox. 4 Inhalation
Aquatic Acute 1
Aquatic Chronic 3
Org. Perox. C
Skin Irrit. 2
Skin Sens. 1
Hazardous Substances Data 614-45-9(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rabbit > 2000 mg/kg

MSDS

Usage And Synthesis

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