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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
 
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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,1-3H3

InChIKey

GJBRNHKUVLOCEB-UHFFFAOYSA-N

Smiles

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

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.