CAS No.3025-88-5,2,5-DIMETHYLHEXANE-2,5-DIHYDROPEROXIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3025-88-5
Name:	2,5-DIMETHYLHEXANE-2,5-DIHYDROPEROXIDE

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

Synthetic route

: 110-03-2
2,5-dimethyl-2,5-hexanediol

: 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane

Conditions

Conditions	Yield
With sulfuric acid; dihydrogen peroxide
With dihydrogen peroxide
With dihydrogen peroxide

: 592-13-2
2,5-dimethylhexane

: 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane

Conditions

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

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

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

Conditions	Yield
at 25 - 30℃;

...Expand

: 592-13-2
2,5-dimethylhexane

air: air

: 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane

Conditions

Conditions	Yield
at 20℃; Autoxydation;

: 592-13-2
2,5-dimethylhexane

oxygen: oxygen

A: 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane

B: 90951-87-4
2-Hydroperoxy-2,5-dimethylhexane

Conditions

Conditions	Yield
at 120℃;
at 95℃;

...Expand

: 15045-43-9
2,2,5,5-tetramethyltetrahydrofuran

: 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane

Conditions

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

: 4-(4-{4-[4-(9-{4-[9-(4-Hydroperoxy-1,1,4-trimethyl-pentylperoxycarbonyl)-nonanoylperoxy]-1,1,4-trimethyl-pentylperoxycarbonyl}-nonanoylperoxy)-1,1,4-trimethyl-pentylperoxycarbonyl]-benzoylperoxy}-1,1,4-trimethyl-pentylperoxycarbonyl)-benzoic acid

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃; for 1.5h;	98%

...Expand

: 3025-88-5
2,5-dimethyl-2,5-dihydroperoxyhexane

: 42875-57-0
α-bromosebacoyl chloride

: 78499-33-9
C90H157Br5O31

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃; for 1.5h;	97%

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- China (Mainland)(25)
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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

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