tert-Butyl peroxybenzoate

Modify Date: 2024-01-02 10:57:37

tert-Butyl peroxybenzoate Structure
tert-Butyl peroxybenzoate structure
Common Name tert-Butyl peroxybenzoate
CAS Number 614-45-9 Molecular Weight 194.227
Density 1.1±0.1 g/cm3 Boiling Point 282.4±9.0 °C at 760 mmHg
Molecular Formula C11H14O3 Melting Point 8 °C
MSDS Chinese USA Flash Point 109.7±12.8 °C
Symbol GHS02 GHS07 GHS09
GHS02, GHS07, GHS09
Signal Word Danger

 Names

Name tert-Butyl peroxybenzoate
Synonym More Synonyms

 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

 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
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

 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%

 Articles6

More 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...

 Synonyms

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
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