|
|
Substance Name: tert-Butyl peroxybenzoate
RN: 614-45-9
UNII: 54E39145KT
InChIKey: GJBRNHKUVLOCEB-UHFFFAOYSA-N
Classification Codes
- Mutation Data
- Skin / Eye Irritant
- Tumor Data
Molecular Formula
- C11-H14-O3
Molecular Weight
- 194.2286
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Results Name
- tert-Butyl peroxybenzoate
Name of Substance
- Peroxybenzoic acid, t-butyl ester
- tert-Butyl peroxybenzoate
Synonyms
- 4-09-00-00715 (Beilstein Handbook Reference)
- AI3-06625
- Benzenecarboperoxoic acid, 1,1-dimethylethyl ester
- Benzoyl tert-butyl peroxide
- BRN 1342734
- CCRIS 6217
- Chaloxyd tbpb
- EC 210-382-2
- EINECS 210-382-2
- Esperox 10
- HSDB 2891
- Novox
- NSC 674
- Perbenzoate de butyle tertiaire
- Perbenzoate de butyle tertiaire [French]
- Perbenzoic acid, tert-butyl ester
- Perbutyl Z
- Peroxybenzoic acid, tert-butyl ester
- t-Butyl perbenzoate
- t-Butyl peroxy benzoate
- terc.Butylester kyseliny peroxybenzoove
- terc.Butylester kyseliny peroxybenzoove [Czech]
- terc.Butylperbenzoan
- terc.Butylperbenzoan [Czech]
- tert-Butyl perbenzoate
- tert-Butyl peroxy benzoate
- tert-Butyl peroxybenzoate
- Trigonox C
- UNII-54E39145KT
Systematic Names
- Benzenecarboperoxoic acid, 1,1-dimethylethyl ester
- Peroxybenzoic acid, tert-butyl ester
- tert-Butyl perbenzoate
Superlist Names
- Benzenecarboperoxoic acid, 1,1-dimethylethyl ester
- Peroxybenzoic acid, tert-butyl ester
- t-Butyl perbenzoate
- tert-Butyl perbenzoate
Registry Numbers
CAS Registry Number
- 614-45-9
FDA UNII
- 54E39145KT
Other Registry Number
- 66745-94-6
System Generated Number
- 0000614459
Structure Descriptors
InChI
InChI=1S/C11H14O3/c1-11(2,3)14-13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3InChIKey
GJBRNHKUVLOCEB-UHFFFAOYSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC | inhalation | > 57mg/m3/4H (57mg/m3) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 55, 1968. | |
mouse | LD50 | oral | 914mg/kg (914mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: NECROTIC GHANGES LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 55, 1968. |
rat | LC | inhalation | > 57mg/m3/4H (57mg/m3) | Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 10, Pg. 55, 1968. | |
rat | LD50 | oral | 1012mg/kg (1012mg/kg) | "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 8 | deg C | EXP | |
log P (octanol-water) | 2.890 | (none) | EST | |
Water Solubility | 395 | mg/L | 25 | EST |
Vapor Pressure | 0.33 | mm Hg | 50 | EXP |
Henry's Law Constant | 2.06E-04 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 2.28E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.