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CAS No.: | 78-18-2 |
---|---|
Name: | Cyclohexanone peroxide |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C12H22 O5 |
Molecular Weight: | 246.304 |
Synonyms: | Peroxide,1-hydroperoxycyclohexyl 1-hydroxycyclohexyl (6CI,7CI);1-Hydroxy-1'-hydroperoxydicyclohexyl peroxide; Perhexa P |
EINECS: | 201-091-1 |
Density: | 1.2 g/cm3 |
Melting Point: | 76-77 °C |
Boiling Point: | 374.7 °C at 760 mmHg |
Flash Point: | 180.4 °C |
Appearance: | White to colorless solid. |
Hazard Symbols: | Dangerous fire risk, powerful oxidizer. |
Safety: | Slightly toxic by parenteral route. A severe eye and skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors. |
PSA: | 74.60000 |
LogP: | 3.05660 |
cyclohexanone
butanone
A
1-hydroxycyclohexyl 1-hydroperoxycyclohexyl peroxide
B
3,6-dimethyl-3,6-dihydroperoxy-4,5-dioxaoctane
Conditions | Yield |
---|---|
With C14H34N2O6S2(2+)*2HO4S(1-) | A 95.2% B 96.4% |
Conditions | Yield |
---|---|
With dihydrogen peroxide; nitric acid at 18℃; for 2h; Kinetics; Thermodynamic data; Temperature; Time; | 96.2% |
With dihydrogen peroxide In Petroleum ether at 70 - 80℃; for 4h; Solvent; | 88.7% |
With sulfuric acid; dihydrogen peroxide at 10℃; for 1h; | 84% |
cyclohexyl hydroperoxide
A
1-hydroxycyclohexyl 1-hydroperoxycyclohexyl peroxide
B
1,1'-dihydroxycyclohexyl peroxide
C
bis-(1-hydroperoxycyclohexyl)peroxide
D
cyclohexanone
Conditions | Yield |
---|---|
With ozone In tetrachloromethane at 20℃; Kinetics; |
cyclohexanone
A
1-hydroxycyclohexyl 1-hydroperoxycyclohexyl peroxide
B
1,1'-dihydroxycyclohexyl peroxide
C
bis-(1-hydroperoxycyclohexyl)peroxide
Conditions | Yield |
---|---|
With dihydrogen peroxide In tetrachloromethane |
hydrogenchloride
water
dihydrogen peroxide
cyclohexanone
1-hydroxycyclohexyl 1-hydroperoxycyclohexyl peroxide
hydrogenchloride
diethyl ether
water
dihydrogen peroxide
cyclohexanone
1-hydroxycyclohexyl 1-hydroperoxycyclohexyl peroxide
1-hydroxycyclohexyl 1-hydroperoxycyclohexyl peroxide
bis-(1-hydroperoxycyclohexyl)peroxide
Conditions | Yield |
---|---|
With sulfuric acid; dihydrogen peroxide at 20℃; for 24h; | 92% |
With dihydrogen peroxide |
1-hydroxycyclohexyl 1-hydroperoxycyclohexyl peroxide
methyl vinyl ketone
A
2,12-Tridecanedione
B
1-Hydroxy-3-butanone
C
2-oxodecanoic acid
D
cyclohexanone
Conditions | Yield |
---|---|
With titanium(III) chloride; acetic acid for 3h; Ambient temperature; Yields of byproduct given. Title compound not separated from byproducts; | A 26% B n/a C n/a D n/a |
With titanium(III) chloride; acetic acid for 3h; Ambient temperature; Yield given. Title compound not separated from byproducts; | A 26% B n/a C n/a D n/a |
pyridine
1-hydroxycyclohexyl 1-hydroperoxycyclohexyl peroxide
benzoyl chloride
1,1-bis-benzoylperoxy-cyclohexane
Conditions | Yield |
---|---|
unter Kuehlung; |
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Molecular Formula: C12H22O5
Molar mass: 246.3001 g/mol
Nominal Mass: 246 Da
Average Mass: 246.3001 Da
Monoisotopic Mass: 246.146724 Da
Density: 1.2 g/cm3
Flash Point: 180.4 °C
Index of Refraction: 1.518
Boiling Point: 374.7 °C at 760 mmHg
Vapour Pressure: 3.81E-07 mmHg at 25°C
Structure of Cyclohexanone peroxide (78-18-2):
XLogP3-AA: 2.3
H-Bond Donor: 2
H-Bond Acceptor: 5
Systematic Name of Cyclohexanone peroxide (78-18-2): 1-(1-Hydroperoxycyclohexyl)peroxycyclohexan-1-ol
SMILES: O(OC1(OO)CCCCC1)C2(O)CCCCC2
InChI: InChI=1/C12H22O5/c13-11(7-3-1-4-8-11)16-17-12(15-14)9-5-2-6-10-12/h13-14H,1-10H2
InChIKey: UICXTANXZJJIBC-UHFFFAOYAL
Std. InChI: InChI=1S/C12H22O5/c13-11(7-3-1-4-8-11)16-17-12(15-14)9-5-2-6-10-12/h13-14H,1-10H2
Std. InChIKey: UICXTANXZJJIBC-UHFFFAOYSA-N
1. | eye-rbt 80 mg/1M RNS SEV | ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. 8 (1958),25. | ||
2. | par-mus LD50:2 g/kg | NCPBBY National Clearinghouse for Poison Control Centers, Bulletin. U.S. Department of Health, Education, and Welfare (Washington, DC) Jan/Feb ,1969. |
Reported in EPA TSCA Inventory.
Slightly toxic by parenteral route. A severe eye and skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
DFG MAK: Strong Skin Effects
Cyclohexanone peroxide (78-18-2) also can be called Perhexa P ; Cyclohexanol, 1-((1-hydroperoxycyclohexyl)dioxy)- ; 1-Hydroperoxycyclohexyl 1-hydroxycyclohexyl peroxide ;and 1-Hydroxy-1'-hydroperoxydicyclohexyl peroxide .