| Identification | More | [Name]
2,5-Dimethyl-2,5-hexanediol | [CAS]
110-03-2 | [Synonyms]
2,5-DIHYDROXY-2,5-DIMETHYLHEXANE
2,5-DIMETHYL-2,5-HEXANDIOL
2,5-DIMETHYL-2,5-HEXANEDIOL
2,5-DIMETHYLHEXAN-2,5-DIOL
2,5-DIMETHYLHEXANE-2,5-DIOL
1,1,4,4-Tetramethyl-1,4-butanediol
2,5-dimethyl-5-hexanediol
5-Hexanediol,2,5-dimethyl-2
ai3-20685
dimethylhexanediol
nsc5595
2,5-Hexanediol, 2,5-dimethyl-
2,5-DIMETHYLHEXANEDIOL
2,5-DIMETHYLOHEXANEDIOL
2，5-dimethyl-2，5-hexadiol | [EINECS(EC#)]
203-731-5 | [Molecular Formula]
C8H18O2 | [MDL Number]
MFCD00004473 | [Molecular Weight]
146.23 | [MOL File]
110-03-2.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystalline flakes | [Melting point ]
86-90 °C (lit.) | [Boiling point ]
214-215 °C (lit.) | [density ]
0,898 g/cm3 | [vapor pressure ]
0.18Pa at 20℃ | [refractive index ]
1.4429 (estimate) | [Fp ]
126 °C
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
Crystalline Flakes | [pka]
15.07±0.29(Predicted) | [color ]
White | [Odor]
mild camphor | [Water Solubility ]
SOLUBLE | [BRN ]
1361437 | [Henry's Law Constant]
1.4×101 mol/(m3Pa) at 25℃, Zhang et al. (2010) | [InChI]
1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3 | [InChIKey]
ZWNMRZQYWRLGMM-UHFFFAOYSA-N | [SMILES]
CC(C)(O)CCC(C)(C)O | [LogP]
0.21 at 23℃ | [CAS DataBase Reference]
110-03-2(CAS DataBase Reference) | [NIST Chemistry Reference]
2,5-Hexanediol, 2,5-dimethyl-(110-03-2) | [EPA Substance Registry System]
110-03-2(EPA Substance) |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Nickel-->3-Methyl butynol-->3-Hexyne-->2,5-Hexanediol-->2,5-Dimethyl-2-hexanol-->2,5-Dimethyl-3-hexyne-2,5-diol-->2,5-Dimethylhexane | [Preparation Products]
Bexarotene-->1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene-->2,5-Dichloro-2,5-dimethylhexane-->1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene-->Naphthalene,6-chloro-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl- |
| Hazard Information | Back Directory | [Chemical Properties]
white crystalline flakes | [Uses]
2,5-Dimethyl-2,5-hexanediol was used in the synthesis of six- and seven-membered heterocyclic boron compounds containing intramolecular N-B bond. | [Preparation]
The raw materials (37.4 g, 263 mmol), ethyl acetate (60 mL), and Pd/C catalyst (0.285 g, 2.63 mmol, 1 mol %) were added to an autoclave. The hydrogen gas was slowly added until10 bar. When the hydrogenation reaction was performed for 12 hours and then the hydrogen gas was removed. Finally, 2,5-Dimethyl-2,5-hexanediol is obtained by purification.
 | [Synthesis Reference(s)]
Synthesis, p. 165, 1981 DOI: 10.1055/s-1981-29377 | [General Description]
2,5-Dimethyl-2,5-hexanediol on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines. | [Purification Methods]
Purify the diol by fractional crystallisation. Then the diol is dissolved in hot acetone, treated with activated charcoal, and filtered while hot. The solution is cooled and the diol is filtered off and washed well with cold acetone. The crystallisation process ia repeated several times, and the crystals are dried under a vacuum in a freeze-drying apparatus [Goates et al. J Chem Soc, Faraday Trans 1 78 3045 1982]. [Beilstein 1 IV 2600.] | [References]
[1] Feghouli G, et al. Activation of reducing agents. Sodium hydride containing complex reducing agents 29. Epimerization of alcohols by nickel-containing complex reducing agents (NiCRA). Tetrahedron Letters, 1988; 9: 285–290. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,5-Dimethyl-2,5-hexanediol(110-03-2)MS
2,5-Dimethyl-2,5-hexanediol(110-03-2)1HNMR
2,5-Dimethyl-2,5-hexanediol(110-03-2)13CNMR
2,5-Dimethyl-2,5-hexanediol(110-03-2)IR1
2,5-Dimethyl-2,5-hexanediol(110-03-2)IR2
2,5-Dimethyl-2,5-hexanediol(110-03-2)IR3
2,5-Dimethyl-2,5-hexanediol(110-03-2)Raman
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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Energy Chemical
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China Langchem Inc.
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