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80-15-9

Basic Information
CAS No.: 80-15-9
Name: Cumyl hydroperoxide
Article Data: 189
Molecular Structure:
Molecular Structure of 80-15-9 (Cumyl hydroperoxide)
Formula: C9H12O2
Molecular Weight: 152.193
Synonyms: 1-Mmethyl-1-phenylethylhydroperoxide;alpha,alpha-Dimethylbenzylhydroperoxide;4-06-00-03221 (Beilstein Handbook Reference);7-Hydroperoxykumen;Cumeenhydroperoxyde;HSDB 254;Hydroperoxide, alpha,alpha-dimethylbenzyl-;Hydroperoxyde de cumene;
EINECS: 201-254-7
Density: 1.06 g/cm3
Melting Point: -30 °C
Boiling Point: 225.1 °C at 760 mmHg
Flash Point: 56.1 °C
Solubility: slightly soluble in water
Appearance: colourless liquid
Hazard Symbols: OxidizingO,ToxicT,DangerousN
Risk Codes: 7-21/22-23-34-48/20/22-51/53-66-65-10
Safety: 14-3/7-36/37/39-45-50-61-14A-26
Transport Information: UN 3109
PSA: 29.46000
LogP: 2.41130
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  • CuMene hydroperoxide, tech

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    CuMene hydroperoxide, tech

    Min.Order: 1 Gram

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  • Cumyl hydroperoxide

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    Cumyl hydroperoxide

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    Cumyl hydroperoxide

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  • Hydroperoxide,1-methyl-1-phenylethyl

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    Hydroperoxide,1-methyl-1-phenylethyl

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Consensus Reports

Community Right-To-Know List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Standards and Recommendations

DFG MAK: Moderate Skin Effects

Specification

The Cumene hydroperoxide, with the CAS registry number 80-15-9, is also known as Hydroperoxide, 1-methyl-1-phenylethyl. It belongs to the product categories of Organic Peroxide; Synthetic Organic Chemistry. Its EINECS registry number is 201-254-7. This chemical's molecular formula is C9H12O2 and molecular weight is 152.19038. Its IUPAC name is called 2-hydroperoxypropan-2-ylbenzene. This chemical's classification codes are Mutation Data; Noxae; Oxidants; Skin / Eye Irritant; Tumor Data. What's more, the product should be sealed and stored in cool place. It can be used as polymerization catalyst and in preparation of acetone and phenol. Cumene hydroperoxide is an intermediate in the cumene process.

Physical properties of Cumene hydroperoxide: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 2.63; (4)ACD/BCF (pH 5.5): 58.68; (5)ACD/BCF (pH 7.4): 58.68; (6)ACD/KOC (pH 5.5): 641.96; (7)ACD/KOC (pH 7.4): 641.94; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 43.28 cm3; (13)Molar Volume: 143.4 cm3; (14)Surface Tension: 36.1 dyne/cm; (15)Density: 1.06 g/cm3; (16)Flash Point: 56.1 °C; (17)Enthalpy of Vaporization: 48.79 kJ/mol; (18)Boiling Point: 225.1 °C at 760 mmHg; (19)Vapour Pressure: 0.05 mmHg at 25°C.

Uses of Cumene hydroperoxide: it can be used to produce 2-phenyl-propan-2-ol at temperature of 25 °C. This reaction will need reagent PPh3 and solvent acetonitrile.

Cumene hydroperoxide can be used to produce 2-phenyl-propan-2-ol

When you are using this chemical, please be cautious about it as the following:
This chemical is oxidising and toxic which is dangerous for the environment. In addition, it is harmful in contact with skin and if swallowed. Meanwhile, it is toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C1=CC=CC=C1)OO
(2)InChI: InChI=1S/C9H12O2/c1-9(2,11-10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
(3)InChIKey: YQHLDYVWEZKEOX-UHFFFAOYSA-N

The toxicity data is as follows:

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) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
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) 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) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

KIDNEY, URETER, AND BLADDER: HEMATURIA
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.