Cumyl hydroperoxide

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Names

[ CAS No. ]:
80-15-9

[ Name ]:
Cumyl hydroperoxide

[Synonym ]:
2-Phenyl-2-propyl hydroperoxide
Cumene hydroperoxide
2-Phenylpropan-2-yl hydroperoxide
MFCD00002129
2-hydroperoxypropan-2-ylbenzene
Hyperiz
Trigonox R 239A
a,a-Dimethylbenzyl Hydroperoxide
a-Cumyl Hydroperoxide
1-Methyl-1-phenylethylhydroperoxide
Kayacumene H
EINECS 201-254-7
Percumyl H 80
R 239A
Hydroperoxide, 1-methyl-1-phenylethyl
2-Hydroperoxy-2-phenylpropane
Trigonox K 80
Percumyl H
a,a-Dimethylbenzylhydroperoxide
a-Cumene Hydroperoxide
Trigonox R 239R
1-Methyl-1-phenylethyl hydroperoxide
2-Phenyl-2-propanyl hydroperoxide
Hydroperoxide, α,α-dimethylbenzyl

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
225.1±0.0 °C at 760 mmHg

[ Melting Point ]:
-30 °C

[ Molecular Formula ]:
C₉H₁₂O₂

[ Molecular Weight ]:
152.190

[ Flash Point ]:
56.1±0.0 °C

[ Exact Mass ]:
152.083725

[ PSA ]:
29.46000

[ LogP ]:
2.63

[ Vapour density ]:
5.4 (vs air)

[ Vapour Pressure ]:
0.1±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.515

[ Stability ]:
Stable. combustible. Strong oxidizer. Incompatible with a variety of organic materials, reacting vigorously or violently with acids, reducing agents, many metals, strong alkalies. Heat sensitive, decomposing explosively.

[ Water Solubility ]:
Slightly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MX2450000

CHEMICAL NAME :: Hydroperoxide, alpha,alpha-dimethylbenzyl-

CAS REGISTRY NUMBER :: 80-15-9

BEILSTEIN REFERENCE NO. :: 1908117

LAST UPDATED :: 199710

DATA ITEMS CITED :: 29

MOLECULAR FORMULA :: C9-H12-O2

MOLECULAR WEIGHT :: 152.21

WISWESSER LINE NOTATION :: QOX1&1&R

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 :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

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 :: 382 mg/kg

TOXIC EFFECTS :: Kidney, Ureter, Bladder - hematuria

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 220 ppm/4H

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 500 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Kidney, Ureter, Bladder - hematuria

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 95 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness Behavioral - ataxia

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 382 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 200 ppm/4H

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 270 mg/kg

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 :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 490 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1200 mg/kg

TOXIC EFFECTS :: Cardiac - pulse rate increase, without fall in BP Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1604 mg/kg/7W-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 50 ppm/4H/3D-I

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - other changes Kidney, Ureter, Bladder - other changes Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 399 mg/kg/7W-I

TOXIC EFFECTS :: Related to Chronic Data - death

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 8844 mg/kg/67W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 304 mg/kg

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - lymphoma, including Hodgkin's disease Skin and Appendages - tumors

MUTATION DATA

TYPE OF TEST :: Gene conversion and mitotic recombination

TEST SYSTEM :: Yeast - Saccharomyces cerevisiae

DOSE/DURATION :: 47 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 308,159,1994 *** 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 - A1346 No. of Facilities: 4311 (estimated) No. of Industries: 80 No. of Occupations: 53 No. of Employees: 95676 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1346 No. of Facilities: 10989 (estimated) No. of Industries: 125 No. of Occupations: 85 No. of Employees: 234305 (estimated) No. of Female Employees: 69933 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS05, GHS06, GHS08, GHS09

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H242-H302 + H312-H304-H314-H331-H335-H373-H411

[ Precautionary Statements ]:
P210-P260-P280-P304 + P340 + P310-P305 + P351 + P338 + P310-P370 + P378

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T:Toxic

[ Risk Phrases ]:
R21/22;R23;R34;R48/20/22;R51/53;R7

[ Safety Phrases ]:
S14-S3/7-S36/37/39-S45-S50-S61-S14A-S26

[ RIDADR ]:
UN 3109 5.2

[ WGK Germany ]:
3

[ RTECS ]:
MX2450000

[ Packaging Group ]:
II

[ Hazard Class ]:
5.2

[ HS Code ]:
2909600000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Cumene
α-methylstyrene
2-methyl-2-phenyl-propanal
sec-Butylbenzene
Cyclohexylbenzene
α,α-dimethylbenzyl perbenzoate
α-Cumyl alcohol
(2-phenylpropan-2-ylperoxy)methyl(phenyl)silane

DownStream

oxazolidinone
Methyl n-octyl sulfide
methane
α-Cumyl alcohol
tert-Butyl methyl nitroxide
phenyl cumyl nitroxide
nitrobenzene
Methylbenzylalcohol
Acetophenone
Cyclohexanone

Customs

[ HS Code ]: 2909600000

[ Summary ]:
2909600000 alcohol peroxides, ether peroxides, ketone peroxides and their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

Effects of curcumin and tannic acid on the aluminum- and lead-induced oxidative neurotoxicity and alterations in NMDA receptors.

Toxicol. Mech. Methods 25(2) , 120-7, (2015)

Exposure to aluminum (Al) and lead (Pb) can cause brain damage. Also, Pb and Al exposure alters N-methyl-d-aspartate receptor (NMDAR) subunit expression. Polyphenols such as tannic acid and curcumin a...

In vitro/in vivo screening of oxidative homeostasis and damage to DNA, protein, and lipids using UPLC/MS-MS.

Anal. Bioanal. Chem 406(22) , 5465-76, (2014)

Multiple analytical methods are required to comprehensively assess oxidative homeostasis and specific damage to macromolecules. Our aim was to develop a straightforward strategy for the fast assessmen...

Role of oxidative stress in Sclerotial differentiation and aflatoxin B1 biosynthesis in Aspergillus flavus.

Appl. Environ. Microbiol. 80(18) , 5561-71, (2014)

We show here that oxidative stress is involved in both sclerotial differentiation (SD) and aflatoxin B1 biosynthesis in Aspergillus flavus. Specifically, we observed that (i) oxidative stress regulate...

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