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CAS No.: | 3025-88-5 |
---|---|
Name: | 2,5-DIMETHYLHEXANE-2,5-DIHYDROPEROXIDE |
Molecular Structure: | |
Formula: | C8H18O4 |
Molecular Weight: | 178.229 |
Synonyms: | Hydroperoxide,(1,1,4,4-tetramethyl-1,4-butanediyl)bis- (9CI);(1,1,4,4-Tetramethyl-1,4-butanediyl)bis[hydroperoxide];Hydroperoxide,(1,1,4,4-tetramethyltetramethylene)di- (6CI,7CI,8CI);1,1,4,4-Tetramethyltetramethylene dihydroperoxide;2,5-Bis(hydroperoxy)-2,5-dimethylhexane;2,5-Dihydroperoxy-2,5-dimethylhexane;2,5-Dimethyl-2,5-bis(hydroperoxy)hexane;2,5-Dimethyl-2,5-dihydroperoxyhexane;2,5-Dimethyl-2,5-hexylene dihydroperoxide;Lupersol 2,5-2,5;2,5-Dimethylhexane2,5-bis(hydroperoxide);2,5-Dimethylhexane-2,5-dihydroperoxide;2,5-Dimethylhexyl-2,5-dihydroperoxide;Luperox 2,5-2,5; |
EINECS: | 221-184-0 |
Density: | 1.058 g/cm3 |
Melting Point: | 105 °C |
Boiling Point: | 317 °C at 760 mmHg |
Flash Point: | 145.5 °C |
Solubility: | Insoluble in water |
Appearance: | White wet solid |
PSA: | 58.92000 |
LogP: | 2.30300 |
Conditions | Yield |
---|---|
With sulfuric acid; dihydrogen peroxide | |
With dihydrogen peroxide | |
With dihydrogen peroxide |
Conditions | Yield |
---|---|
With oxygen |
2,5-dimethylhexane
A
2,5-dimethyl-2,5-dihydroperoxyhexane
B
5-hydroperoxy-2,5-dimethyl-hexan-2-ol
Conditions | Yield |
---|---|
With oxygen |
2,5-dimethylhexane
A
2,5-dimethyl-2,5-dihydroperoxyhexane
B
2-Hydroperoxy-2,5-dimethylhexane
Conditions | Yield |
---|---|
With oxygen at 95℃; |
2,5-dimethyl-2,5-hexanediol
sulfuric acid
dihydrogen peroxide
2,5-dimethyl-2,5-dihydroperoxyhexane
Conditions | Yield |
---|---|
at 25 - 30℃; |
Conditions | Yield |
---|---|
at 20℃; Autoxydation; |
2,5-dimethylhexane
A
2,5-dimethyl-2,5-dihydroperoxyhexane
B
2-Hydroperoxy-2,5-dimethylhexane
Conditions | Yield |
---|---|
at 120℃; | |
at 95℃; |
2,2,5,5-tetramethyltetrahydrofuran
2,5-dimethyl-2,5-dihydroperoxyhexane
Conditions | Yield |
---|---|
With sulfuric acid; dihydrogen peroxide In water |
sebacoyl chloride
2,5-dimethyl-2,5-dihydroperoxyhexane
terephthaloyl chloride
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 20℃; for 1.5h; | 98% |
2,5-dimethyl-2,5-dihydroperoxyhexane
α-bromosebacoyl chloride
C90H157Br5O31
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 20℃; for 1.5h; | 97% |
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The Hydroperoxide,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis-, with the CAS registry number 3025-88-5, is also known as 2,5-Dimethylhexane 2,5-dihydroperoxide. Its EINECS registry number is 221-184-0. This chemical's molecular formula is C8H18O4 and molecular weight is 178.23. Its systematic name is called 2,5-dimethylhexane-2,5-diyl dihydroperoxide.
Physical properties of Hydroperoxide,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis-: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2.32; (3)ACD/LogD (pH 7.4): 2.32; (4)ACD/BCF (pH 5.5): 33.89; (5)ACD/BCF (pH 7.4): 33.89; (6)ACD/KOC (pH 5.5): 433.34; (7)ACD/KOC (pH 7.4): 433.34; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.453; (12)Molar Refractivity: 45.6 cm3; (13)Molar Volume: 168.4 cm3; (14)Surface Tension: 36.3 dyne/cm; (15)Density: 1.058 g/cm3; (16)Flash Point: 145.5 °C; (17)Enthalpy of Vaporization: 64.73 kJ/mol; (18)Boiling Point: 317 °C at 760 mmHg; (19)Vapour Pressure: 3.33E-05 mmHg at 25°C.
Uses of Hydroperoxide,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis-: it can be used to produce 6,6,9,9-tetramethyl-3-(5,5,6-trimethylbicyclo[2.2.1]heptyl)-1,2,4,5-tetraoxacyclononane with (+-)-5,5,6exo-trimethyl-norbornan-2-one at temperature of 20 - 23 °C. This reaction will need reagent cation-exchange resin KRS-40t and solvent diethyl ether with reaction time of 8 hours. The yield is about 59.5%.
You can still convert the following datas into molecular structure:
(1)SMILES: OOC(CCC(OO)(C)C)(C)C
(2)InChI: InChI=1/C8H18O4/c1-7(2,11-9)5-6-8(3,4)12-10/h9-10H,5-6H2,1-4H3
(3)InChIKey: JGBAASVQPMTVHO-UHFFFAOYAO