tert-Butyl peroxybenzoate

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Names

[ CAS No. ]:
614-45-9

[ Name ]:
tert-Butyl peroxybenzoate

[Synonym ]:
esperox10
Luperox P
TBPB
2-Methyl-2-propanyl benzenecarboperoxoate
chaloxydtbpb
UNII:54E39145KT
perbutylz
EINECS 210-382-2
Benzoyl tert-butyl peroxide
t-Bu peroxybenzoate
tert-Butyl benzenecarboperoxoate
Benzenecarboperoxoic acid, 1,1-dimethylethyl ester
MFCD00008802
trigonoxc
tert-butylperoxy benzoate
tert-Butyl peroxybenzoate
tertiary butyl peroxybenzenoate
tertiary butyl perbenzoate
novox
VAROX TBPB
VAROX TBPB-50

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
282.4±9.0 °C at 760 mmHg

[ Melting Point ]:
8 °C

[ Molecular Formula ]:
C₁₁H₁₄O₃

[ Molecular Weight ]:
194.227

[ Flash Point ]:
109.7±12.8 °C

[ Exact Mass ]:
194.094299

[ PSA ]:
35.53000

[ LogP ]:
3.33

[ Vapour density ]:
6.7 (vs air)

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.497

[ Stability ]:
Stable. Combustible. Incompatible with a wide range of organic materials - oxidizer. May react violently with organic compounds.

[ Water Solubility ]:
Immiscible

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SD9450000

CHEMICAL NAME :: Peroxybenzoic acid, tert-butyl ester

CAS REGISTRY NUMBER :: 614-45-9

BEILSTEIN REFERENCE NO. :: 1342734

LAST UPDATED :: 199712

DATA ITEMS CITED :: 18

MOLECULAR FORMULA :: C11-H14-O3

MOLECULAR WEIGHT :: 194.25

WISWESSER LINE NOTATION :: 1X1&1&OOVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Rinsed with water

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1012 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >57 mg/m3/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 914 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - necrotic changes

TYPE OF TEST :: LC - Lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >57 mg/m3/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 32500 mg/kg/13W-I

TOXIC EFFECTS :: Gastrointestinal - other changes Endocrine - changes in spleen weight Related to Chronic Data - changes in testicular weight

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6 mg/m3/4H

TOXIC EFFECTS :: Kidney, Ureter, Bladder - urine volume decreased Kidney, Ureter, Bladder - other changes in urine composition

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32500 mg/kg/13W-I

TOXIC EFFECTS :: Gastrointestinal - other changes Endocrine - changes in spleen weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 311 mg/kg

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - lymphoma, including Hodgkin's disease

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 67 ug/plate

REFERENCE :: ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 8(Suppl 7),1,1986 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 1 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82135 No. of Facilities: 140 (estimated) No. of Industries: 6 No. of Occupations: 16 No. of Employees: 8562 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82135 No. of Facilities: 1326 (estimated) No. of Industries: 25 No. of Occupations: 26 No. of Employees: 27644 (estimated) No. of Female Employees: 10655 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H242-H315-H317-H332-H400

[ Precautionary Statements ]:
P210-P220-P234-P261-P273-P280-P370 + P378-P410-P411 + P235-P420

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
E:Explosive

[ Risk Phrases ]:
R2;R38;R7

[ Safety Phrases ]:
S7-S14-S36/37/39-S47-S37-S17

[ RIDADR ]:
UN 3103 5.2

[ WGK Germany ]:
2

[ RTECS ]:
SD9450000

[ Packaging Group ]:
II

[ Hazard Class ]:
5.2

[ HS Code ]:
29163900

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

tert-Butyl Hydroperoxide
Benzoyl chloride
Benzaldehyde
Benzyl methyl ether
[ethoxy(phenyl)methyl]benzene
benzhydryloxymethylbenzene
Dibenzyl ether
1,3-Diphenylpropane-1,3-dione
1,3-Dibenzoylacetone
Ethyl 3-oxo-3-phenylpropanoate

DownStream

Ethanol
Ethyl benzoate
ethyl acetate
tert-Butanol
1-hydroxy-1-phenylacetone
benzoic acid 2-oxo-1-phenyl-propyl ester
Isopropyl Benzoate
Isopropanol
Acetone
N-Boc-N-methylglycine methyl ester

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Articles

Evidence for the metabolism of tumor promoter organic hydroperoxides into free radicals by human carcinoma skin keratinocytes: an ESR-spin trapping study.

Carcinogenesis 10(8) , 1499-503, (1989)

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 meta...

Exposure of mouse skin to organic peroxides: subchronic effects related to carcinogenic potential.

Carcinogenesis 25(3) , 431-7, (2004)

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 tha...

tert-Butyl peroxybenzoate (TBPB)-mediated 2-isocyanobiaryl insertion with 1,4-dioxane: efficient synthesis of 6-alkyl phenanthridines via C(sp3)-H/C(sp2)-H bond functionalization.

Chem. Commun. (Camb.) 50(49) , 6439-42, (2014)

An efficient method for the construction of 6-alkyl phenanthridines by tert-butyl peroxybenzoate (TBPB)-mediated 2-isocyanobiaryl insertion with 1,4-dioxane was established. Two new C-C bonds were for...

TERT-BUTYL-(2S,4R)-N'-(BENZYLOXYCARBONYL)-N'-(BENZYLOXYCARBONYL)-4-HYDROXYORNITHINATE
tert-butyl 4-(4-(1H-pyrrolo[2,3-b]pyridin-1-yl)benzamido)benzylmethylcarbamate
tert-butyl(butylchloro-l4-boranylidene)(trimethylsilyl)-l4-azane
tert-Butyl 14-(N-Boc-amino)-1-[3-(methoxycarbonyl)phenoxy]-13,15-dioxo-3,6,9-trioxa- 12,16-diazanonadecan-19-oate
tert-Butyl (1-(1,1-dioxidobenzo[d]isothiazol-3-yl)piperidin-3-yl)(Methyl)carbaMate
tert-butyl (2S,4S)-4-fluoro-2-[(3-methylidenecyclobutyl)methylcarbamoyl]pyrrolidine-1-carboxylate
3-(1-{1-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]cyclobutanecarbonyl}pyrrolidin-2-yl)propanoic acid
4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-{[3-(1H-pyrrol-1-yl)propyl]carbamoyl}butanoic acid
3-{1-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoyl]pyrrolidin-2-yl}propanoic acid
3-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-iodophenyl]formamido}-2,2-difluoropropanoic acid
2-{[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pyridin-2-yl]formamido}-4,4-difluorobutanoic acid
2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2,3-trimethylbutanamido]-4,4-difluorobutanoic acid
2-({[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,2-oxazol-3-yl]formamido}methyl)-1,3-thiazole-4-carboxylic acid
2-{4-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,2-oxazole-3-carbonyl]thiomorpholin-3-yl}acetic acid
2-{4-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,2-oxazole-3-carbonyl]morpholin-2-yl}acetic acid
2-{1-[5-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-1,2-oxazole-3-carbonyl]piperidin-4-yl}acetic acid

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