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| CAS No.: | 110-03-2 |
|---|---|
| Name: | 2,5-Dimethyl-2,5-hexanediol |
| Article Data: | 61 |
| Molecular Structure: | |
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| Formula: | C8H18O2 |
| Molecular Weight: | 146.23 |
| Synonyms: | 1,1,4,4-Tetramethyl-1,4-butanediol;2,5-Dihydroxy-2,5-dimethylhexane;NSC 5595; |
| EINECS: | 203-731-5 |
| Density: | 0.939 g/cm3 |
| Melting Point: | 86-90 °C |
| Boiling Point: | 215.1 °C at 760 mmHg |
| Flash Point: | 126.7 °C |
| Solubility: | soluble in water |
| Appearance: | white crystalline flakes |
| Safety: | 22-24/25 |
| PSA: | 40.46000 |
| LogP: | 1.30840 |
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| Conditions | Yield |
|---|---|
| With hydrogen; 0.25% Pd/Al2O3 In xylene at 80℃; under 22502.3 Torr; Product distribution / selectivity; | 98.5% |
| With palladium on activated charcoal; hydrogen In ethyl acetate at 20℃; under 7500.75 Torr; for 12h; Autoclave; | 84% |
| bei der katalytischen Hydrierung entstehen je nach den Bedingungen verschiedene Produkte.Hydrogenation; |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; iron(II) phthalocyanine; dimethylsulfide; oxygen In ethanol at 20℃; under 760.051 Torr; | 51% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; iron(II) phthalocyanine; dimethylsulfide; oxygen In ethanol at 20℃; under 760.051 Torr; | 41% |
| Conditions | Yield |
|---|---|
| With sulfuric acid; dihydrogen peroxide; iron(II) sulfate | 36% |
| With sulfuric acid; dihydrogen peroxide; iron(II) sulfate | |
| With mercury under 760 Torr; Heating; Irradiation; Yield given; | |
| zinc sulfide In water for 4h; Irradiation; | |
| With sulfuric acid; dihydrogen peroxide; iron(II) sulfate In water at 0 - 20℃; for 0.5h; pH=1; Dimerization; | 0.130 mmol |
- 54462-71-4
2,5-dibromo-2,5-dimethyl-hexane
- 110-03-2
2,5-dimethyl-2,5-hexanediol
| Conditions | Yield |
|---|---|
| With water; potassium carbonate |
| Conditions | Yield |
|---|---|
| das Reaktionsprodukt liefert beim Zerlegen mit Wasser; |
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Specification
The IUPAC name of 2,5-Dimethyl-2,5-hexanediol is 2,5-dimethylhexane-2,5-diol. With the CAS registry number 110-03-2, it is also named as 1,1,4,4-Tetramethyl-1,4-butanediol. The product's categories are Organic Building Blocks; Oxygen Compounds; Polyols. Besides, it is white crystalline flakes, which should be stored in a cool, ventilated warehouse. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. In addition, its molecular formula is C8H18O2 and molecular weight is 146.23.
The other characteristics of this product can be summarized as: (1)EINECS: 203-731-5; (2)ACD/LogP: 0.37; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.37; (5)ACD/LogD (pH 7.4): 0.37; (6)ACD/BCF (pH 5.5): 1.13; (7)ACD/BCF (pH 7.4): 1.13; (8)ACD/KOC (pH 5.5): 37.89; (9)ACD/KOC (pH 7.4): 37.89; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 5; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 42.11 cm3; (15)Molar Volume: 155.6 cm3; (16)Surface Tension: 33.3 dyne/cm; (17)Density: 0.939 g/cm3; (18)Flash Point: 126.7 °C; (19)Melting Point: 86-90 °C; (20)Enthalpy of Vaporization: 52.5 kJ/mol; (21)Boiling Point: 215.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0328 mmHg at 25 °C.
Preparation of 2,5-Dimethyl-2,5-hexanediol: this chemical can be prepared by Acetylene and Acetone.
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This reaction needs reagent by pressurizing ethynylation, condensation and hydrogenation. The reaction can be catalyzed by Raney nickel.
Uses of 2,5-Dimethyl-2,5-hexanediol: this chemical is used as an intermediate in organic synthesis. It can be used for the production of pyrethrins, spices, organic peroxide, artificial musk, crosslinker and polyether rubber. Moreover, it is used to produce 2,5-Dihypochloro-2,5-dimethylhexane.
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This reaction needs 5percent Sodium hypochlorite, Acetic acid and CCl4. The yield is 100 %.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)(CCC(C)(C)O)O
(2)InChI: InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
(3)InChIKey: ZWNMRZQYWRLGMM-UHFFFAOYSA-N