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2,5-Dimethyl-2,5-hexanediol

CAS No.
110-03-2
Chemical Name:
2,5-Dimethyl-2,5-hexanediol
Synonyms
2,5-DIMETHYLHEXANE-2,5-DIOL;2,5-Hexanediol, 2,5-dimethyl-;1,1,4,4-Tetramethyl-1,4-butanediol;nsc5595;ai3-20685;5-hexanediol;-2,5-hexanedioL;dimethylhexanediol;DiMethyl-2,5-hexan;2,5-Dimethyl-2,5-hex
CBNumber:
CB3335426
Molecular Formula:
C8H18O2
Molecular Weight:
146.23
MDL Number:
MFCD00004473
MOL File:
110-03-2.mol
MSDS File:
SDS
Last updated:2024-11-22 20:27:16

2,5-Dimethyl-2,5-hexanediol Properties

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)
Flash point 126 °C
storage temp. Keep in dark place,Sealed in dry,Room Temperature
pka 15.07±0.29(Predicted)
form Crystalline Flakes
color White
Odor mild camphor
Water Solubility SOLUBLE
BRN 1361437
InChIKey ZWNMRZQYWRLGMM-UHFFFAOYSA-N
LogP 0.21 at 23℃
CAS DataBase Reference 110-03-2(CAS DataBase Reference)
FDA UNII 3PNB2S8721
NIST Chemistry Reference 2,5-Hexanediol, 2,5-dimethyl-(110-03-2)
EPA Substance Registry System 2,5-Hexanediol, 2,5-dimethyl- (110-03-2)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H319
Precautionary statements  P264-P280-P305+P351+P338-P337+P313
Safety Statements  22-24/25
WGK Germany  3
TSCA  Yes
HS Code  29053980
NFPA 704
1
3 0

2,5-Dimethyl-2,5-hexanediol price More Price(25)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 143618 2,5-Dimethyl-2,5-hexanediol 97% 110-03-2 100g $48.7 2024-03-01 Buy
Sigma-Aldrich 143618 2,5-Dimethyl-2,5-hexanediol 97% 110-03-2 500g $101 2024-03-01 Buy
TCI Chemical D1167 2,5-Dimethyl-2,5-hexanediol >99.0%(GC) 110-03-2 25g $20 2024-03-01 Buy
TCI Chemical D1167 2,5-Dimethyl-2,5-hexanediol >99.0%(GC) 110-03-2 500g $77 2024-03-01 Buy
Alfa Aesar A11984 2,5-Dimethyl-2,5-hexanediol, 97% 110-03-2 100g $22.65 2024-03-01 Buy
Product number Packaging Price Buy
143618 100g $48.7 Buy
143618 500g $101 Buy
D1167 25g $20 Buy
D1167 500g $77 Buy
A11984 100g $22.65 Buy

2,5-Dimethyl-2,5-hexanediol Chemical Properties,Uses,Production

Chemical Properties

Colorless or white crystalline flakes. M.P. 93°C. B.P. 213°C. Soluble in water (20°C 140g/L), miscible with alcohol and most oils. Faint, camphorlike odor.

Uses

2,5-Dimethyl-2,5-hexanediol is used as an intermediate in the preparation of 2.5-Dimethyl-2.5-bis(tertbutyl-peroxy)hexane to produce polyethylene copolymers and polyethylene rubbers. It is also could be used to prepared nickel-containing Complex Reducing Agents (termed NiCRA)[1].

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 2,5-Dimethyl-3-hexyne-2,5-diol (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 to 10 bar. When the hydrogenation reaction was performed for 12 hours and then removed the hydrogen gas. Finally, 2,5-Dimethyl-2,5-hexanediol is obtained by purification.
2,5-Dimethyl-2,5-hexanediol

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.

142-30-3
110-03-2
Synthesis of 2,5-Dimethyl-2,5-hexanediol from 2,5-Dimethyl-3-hexyne-2,5-diol
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Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2,5-Dimethyl-2,5-hexanediol pictures 2024-11-22 2,5-Dimethyl-2,5-hexanediol
110-03-2
US $1.00 / kg 1kg 99% 10 mt Hebei Weibang Biotechnology Co., Ltd
2,5-Dimethyl-2,5-hexanediol pictures 2024-11-22 2,5-Dimethyl-2,5-hexanediol
110-03-2
US $30.00 / kg 1kg 98% 2000kg hebei hongtan Biotechnology Co., Ltd
2,5-Dimethyl-2,5-hexanediol pictures 2024-11-21 2,5-Dimethyl-2,5-hexanediol
110-03-2
US $10.00 / kg 1kg 99% 20 ton Hebei Zhuanglai Chemical Trading Co Ltd
2,5-dimethyl-5-hexanediol 5-Hexanediol,2,5-dimethyl-2 DiMethyl-2,5-hexan 2,5-Dimethyl-2,5-hex 2,5-DiMethyl-2,5-hexanediol, 99% 250GR 2,5-Dimethyl-2,5-hexanediol,99% 2,5-DiMethyl-2,5-hexanediol, 99.5% 2, 5 - diMethyl - 2, 5 - diol 2,5-Dimethyl-2,5-hexanediol 97% ai3-20685 dimethylhexanediol nsc5595 2,5-DIHYDROXY-2,5-DIMETHYLHEXANE 2,5-DIMETHYLHEXAN-2,5-DIOL 2,5-DIMETHYL-2,5-HEXANDIOL 2,5-DIMETHYL-2,5-HEXANEDIOL 2,5-DIMETHYLHEXANEDIOL 2,5-DIMETHYLOHEXANEDIOL 2,5-dimethyl-2,5-hexadiol 5-hexanediol 7,12-dimethylbenzo[a]anthracene-5,6-dione 2,5-Dimethyl-2,5-hexanediol > 2,5-Dimethyl-2,5-hexanediol Basic information -2,5-hexanedioL 1,1,4,4-Tetramethyl-1,4-butanediol 2,5-DIMETHYLHEXANE-2,5-DIOL 2,5-Hexanediol, 2,5-dimethyl- 2,5-Dimethyl-2,5-hexanediol, ≥ 99.0% 110-03-2 CH3CCH3OHCH2CH2CCH3OHCH3 CH32COHCH2CH2COHCH32 Building Blocks Organic Building Blocks Polyols Oxygen Compounds Organic Building Blocks Oxygen Compounds Polyols Building Blocks Chemical Synthesis Organic Building Blocks Oxygen Compounds bc0001