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- Hydroperoxide,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis-
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| Name |
Hydroperoxide,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis- |
EINECS | 221-184-0 |
| CAS No. | 3025-88-5 | Density | 1.058 g/cm3 |
| PSA | 58.92000 | LogP | 2.30300 |
| Solubility | Insoluble in water | Melting Point |
105 °C |
| Formula | C8H18O4 | Boiling Point | 317 °C at 760 mmHg |
| Molecular Weight | 178.229 | Flash Point | 145.5 °C |
| Transport Information | N/A | Appearance | White wet solid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Hydroperoxide,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis- Synthetic route
| Conditions | Yield |
|---|---|
| With sulfuric acid; dihydrogen peroxide | |
| With dihydrogen peroxide | |
| With dihydrogen peroxide |
| Conditions | Yield |
|---|---|
| With oxygen |
- 592-13-2
2,5-dimethylhexane
A
- 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane
B
- 99233-61-1
5-hydroperoxy-2,5-dimethyl-hexan-2-ol
| Conditions | Yield |
|---|---|
| With oxygen |
- 592-13-2
2,5-dimethylhexane
A
- 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane
B
- 90951-87-4
2-Hydroperoxy-2,5-dimethylhexane
| Conditions | Yield |
|---|---|
| With oxygen at 95℃; |
- 110-03-2
2,5-dimethyl-2,5-hexanediol
- 7664-93-9
sulfuric acid
- 7722-84-1
dihydrogen peroxide
- 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane
| Conditions | Yield |
|---|---|
| at 25 - 30℃; |
| Conditions | Yield |
|---|---|
| at 20℃; Autoxydation; |
- 592-13-2
2,5-dimethylhexane
A
- 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane
B
- 90951-87-4
2-Hydroperoxy-2,5-dimethylhexane
| Conditions | Yield |
|---|---|
| at 120℃; | |
| at 95℃; |
- 15045-43-9
2,2,5,5-tetramethyltetrahydrofuran
- 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane
| Conditions | Yield |
|---|---|
| With sulfuric acid; dihydrogen peroxide In water |
- 111-19-3
sebacoyl chloride
- 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane
- 100-20-9
terephthaloyl chloride
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 20℃; for 1.5h; | 98% |
- 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane
- 42875-57-0
α-bromosebacoyl chloride
- 78499-33-9
C90H157Br5O31
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 20℃; for 1.5h; | 97% |
Hydroperoxide,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis- Specification
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%.
![Hydroperoxide,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis- 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](/UserFilesUpload/Uses of Hydroperoxide,1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis-(1).png)
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
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