tert-Butyl peroxybenzoate
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
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
Precursor & DownStream
Precursor
DownStream
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
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...