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Name |
Cumyl hydroperoxide |
EINECS | 201-254-7 |
CAS No. | 80-15-9 | Density | 1.06 g/cm3 |
PSA | 29.46000 | LogP | 2.41130 |
Solubility | slightly soluble in water | Melting Point |
-30 °C |
Formula | C9H12O2 | Boiling Point | 225.1 °C at 760 mmHg |
Molecular Weight | 152.193 | Flash Point | 56.1 °C |
Transport Information | UN 3109 | Appearance | colourless liquid |
Safety | 14-3/7-36/37/39-45-50-61-14A-26 | Risk Codes | 7-21/22-23-34-48/20/22-51/53-66-65-10 |
Molecular Structure | Hazard Symbols | O,T,N | |
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; |
Article Data | 189 |
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.
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. |