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Substance Name: tert-Butyl hydroperoxide
RN: 75-91-2
UNII: 955VYL842B
InChIKey: CIHOLLKRGTVIJN-UHFFFAOYSA-N

Note

  • A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules.

Molecular Formula

  • C4-H10-O2

Molecular Weight

  • 90.121
 

Classification Codes

  • Bactericide
  • Fungicide
  • Mutation Data
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • tert-Butyl hydroperoxide
  • tert-Butylhydroperoxide

MeSH Heading

  • tert-Butylhydroperoxide

Synonyms

  • 1,1-Dimethylethyl hydroperoxide
  • 1,1-Dimethylethylhydroperoxide
  • 2-Hydroperoxy-2-methylpropane
  • 4-01-00-01616 (Beilstein Handbook Reference)
  • AI3-50541
  • BRN 1098280
  • Cadox TBH
  • Caswell No. 130BB
  • CCRIS 5892
  • DE 488
  • DE-488
  • EC 200-915-7
  • EINECS 200-915-7
  • HSDB 837
  • Hydroperoxide, 1,1-dimethylethyl
  • Hydroperoxide, tert-butyl
  • Hydroperoxyde de butyle tertiaire
  • Hydroperoxyde de butyle tertiaire [French]
  • NSC 672
  • Perbutyl H
  • Slimicide
  • Slimicide DE-488
  • T-Butyl hydroperoxide
  • t-Butylhydroperoxide
  • TBHP
  • TBHP-70
  • terc. Butylhydroperoxid
  • terc. Butylhydroperoxid [Czech]
  • terc.Butylhydroperoxid
  • terc.Butylhydroperoxid [Czech]
  • tert-Butyl hydrogen peroxide
  • tert-Butyl hydroperoxide
  • tert-Butylhydroperoxide
  • Tertiary butyl hydroperoxide
  • Trigonox A-75
  • Trigonox A-75 [Czech]
  • Trigonox A-W70
  • UNII-955VYL842B

Systematic Names

  • Hydroperoxide, 1,1-dimethylethyl
  • tert-Butyl hydroperoxide
  • tert-Butylhydroperoxide

Superlist Names

  • Hydroperoxide, 1,1-dimethylethyl-
  • tert-Butyl hydroperoxide
  • tert-Butyl hydroperoxide, >90% with water
  • tert-Butyl hydroperoxide, >90% with water [Forbidden]

Registry Numbers

CAS Registry Number

  • 75-91-2

FDA UNII

  • 955VYL842B

System Generated Number

  • 0000075912

Structure Descriptors

InChI

InChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3

InChIKey

CIHOLLKRGTVIJN-UHFFFAOYSA-N

Smiles

CC(C)(C)OO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 350ppm/4H (350ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
mouse LD50 intraperitoneal 246mg/kg (246mg/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.
mouse LD50 oral 320mg/kg (320mg/kg) BLOOD: HEMORRHAGE

GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETION

BEHAVIORAL: IRRITABILITY		 Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 90, 1979.
rabbit LD50 skin 460uL/kg (0.46mL/kg) LIVER: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 ARCO Chemical Company Report. Vol. JUN1982,
rat LC50 inhalation 500ppm/4H (500ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
rat LD50 intraperitoneal 87mg/kg (87mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS		 American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
rat LD50 oral 370mg/kg (370mg/kg) BLOOD: HEMORRHAGE

GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETION

BEHAVIORAL: IRRITABILITY		 Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 15, Pg. 90, 1979.
rat LD50 skin 790mg/kg (790mg/kg)   SPI Bulletin. Vol. 1/75-19B,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.00E+00 deg C   EXP
pKa Dissociation Constant 12.8 (none) 20 EXP
log P (octanol-water) 0.940 (none)   EST
Water Solubility 1.97E+04 mg/L 25 EST
Vapor Pressure 5.47 mm Hg 25 EXP
Henry's Law Constant 1.60E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.00E-12 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.