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77200

Sigma-Aldrich

tert-Butyl peroxybenzoate

technical, ≥95.0% (RT)

Synonym(s):

tert-Butyl perbenzoate

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About This Item

Linear Formula:
C6H5COOOC(CH3)3
CAS Number:
614-45-9
Molecular Weight:
194.23
Beilstein/REAXYS Number:
1342734
EC Number:
210-382-2
MDL number:
MFCD00008802
UNSPSC Code:
12352100
PubChem Substance ID:
329767530
NACRES:
NA.22

vapor density

6.7 (vs air)

Quality Level

100

vapor pressure

3.36 mmHg ( 50 °C)

grade

technical

assay

≥95.0% (RT)

form

liquid

impurities

~2% tert-butyl benzoate

refractive index

n20/D 1.499 (lit.)
n20/D 1.50

bp

75-76 °C/0.2 mmHg (lit.)

density

1.021 g/mL at 25 °C (lit.)

functional group

peroxide

storage temp.

2-8°C

SMILES string

CC(C)(C)OOC(=O)c1ccccc1

InChI

1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

InChI key

GJBRNHKUVLOCEB-UHFFFAOYSA-N

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Other Notes

Sales restrictions may apply

signalword

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Acute 1 - Aquatic Chronic 3 - Org. Perox. C - Skin Irrit. 2 - Skin Sens. 1

Storage Class

4.1A - Other explosive hazardous materials

wgk_germany

WGK 2

flash_point_f

200.1 °F - closed cup - Decomposition

flash_point_c

93.4 °C - closed cup - Decomposition

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
BCCC4181
BCBP1915V
BCBC4034V
BCBC4034
1387085

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Chemical and Engineering News, 59, 19-19 (1981)
Margaret Hanausek et al.
Carcinogenesis, 25(3), 431-437 (2003-11-25)
Screening of newly synthesized organic peroxides for tumor initiating/promoting activity would be greatly facilitated if predictive methodologies could be developed using topical exposures shorter than those required for definitive tumor assessment in mouse skin models. Nine organic peroxides [benzoyl peroxide
M Athar et al.
Carcinogenesis, 10(8), 1499-1503 (1989-08-01)
Humans are exposed to various peroxy and hydroperoxy compounds which are in use in the cosmetic, pharmaceutical and polymer industries and which are also generated as a result of the peroxidative metabolic conversion of certain lipids. This study was designed

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