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Substance Name: Cumene hydroperoxide
RN: 80-15-9
UNII: PG7JD54X4I
InChIKey: YQHLDYVWEZKEOX-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-O2

Molecular Weight

  • 152.192
 

Classification Codes

Classification Codes

  • Mutation Data
  • Noxae
  • Oxidants
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Reportable Quantity (RQ) = 10 lb

Names and Synonyms

Name of Substance

  • Cumene hydroperoxide

Synonyms

  • 4-06-00-03221 (Beilstein Handbook Reference)
  • 7-Cumyl hydroperoxide
  • 7-Hydroperoxykumen
  • 7-Hydroperoxykumen [Czech]
  • alpha,alpha-Dimethylbenzyl hydroperoxide
  • alpha,alpha-Dimethylbenzylhydroperoxide
  • BRN 1908117
  • CCRIS 3801
  • CHP
  • Cumeenhydroperoxyde
  • Cumeenhydroperoxyde [Dutch]
  • Cumene hydroperoxide
  • Cument hydroperoxide
  • Cumenyl hydroperoxide
  • Cumolhydroperoxid
  • Cumolhydroperoxid [German]
  • Cumolhydroperoxide
  • Cumyl hydroperoxide
  • EC 201-254-7
  • EINECS 201-254-7
  • HSDB 254
  • Hydroperoxide de cumene
  • Hydroperoxide, 1-methyl-1-phenylethyl
  • Hydroperoxide, alpha,alpha-dimethylbenzyl-
  • Hydroperoxyde de cumene
  • Hydroperoxyde de cumene [French]
  • Hydroperoxyde de cumyle
  • Hydroperoxyde de cumyle [French]
  • Idroperossido di cumene
  • Idroperossido di cumene [Italian]
  • Idroperossido di cumolo
  • Idroperossido di cumolo [Italian]
  • Isopropylbenzene hydroperoxide
  • Kumenylhydroperoxid
  • Kumenylhydroperoxid [Czech]
  • PH 80
  • RCRA waste number U096
  • UNII-PG7JD54X4I

Systematic Names

  • alpha,alpha-Dimethylbenzyl hydroperoxide
  • Cumene hydroperoxide
  • Hydroperoxide, 1-methyl-1-phenylethyl
  • Hydroperoxide, alpha,alpha-dimethylbenzyl-

Superlist Names

  • alpha,alpha-Dimethylbenzylhydroperoxide
  • Cumene hydroperoxide
  • Hydroperoxide, 1-methyl-1-phenylethyl-
  • Hydroperoxide, alpha,alpha-dimethylbenzyl
  • RCRA waste no. U096

Registry Numbers

CAS Registry Number

  • 80-15-9

FDA UNII

  • PG7JD54X4I

Other Registry Number

  • 79568-78-8

System Generated Number

  • 0000080159

Structure Descriptors

InChI

1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3

InChIKey

YQHLDYVWEZKEOX-UHFFFAOYSA-N

Smiles

c1(C(OO)(C)C)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 200ppm/4H (200ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
mouse LD50 intraperitoneal 270mg/kg (270mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 26(12), Pg. 22, 1961.
mouse LD50 subcutaneous 490mg/kg (490mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 26(12), Pg. 22, 1961.
mouse LDLo oral 5gm/kg (5000mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 3, 1961.
rabbit LDLo skin 1200mg/kg (1200mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 8(8), Pg. 12, 1964.
rabbit LDLo skin 1200mg/kg (1200mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

BLOOD: CHANGES IN ERYTHROCYTE (RBC) COUNT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 8(8), Pg. 12, 1964.
rat LC50 inhalation 220ppm/4H (220ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
rat LD50 intraperitoneal 95mg/kg (95mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA
American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
rat LD50 oral 382mg/kg (382mg/kg) KIDNEY, URETER, AND BLADDER: HEMATURIA American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
rat LD50 skin 500mg/kg (500mg/kg) KIDNEY, URETER, AND BLADDER: HEMATURIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Archives of Environmental Health. Vol. 30, Pg. 1, 1975.
rat LD50 subcutaneous 382mg/kg (382mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 242, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.00E+00 deg C   EXP
log P (octanol-water) 2.160 (none)   EST
Water Solubility 1.39E+04 mg/L 25 EXP
Vapor Pressure 0.00327 mm Hg 25 EXP
Henry's Law Constant 4.71E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.63E-12 cm3/molecule-sec 25 EST

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