2,5-Dimethyl-2,5-hexanediol

CAS No.：110-03-2

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2,5-Dimethyl-2,5-hexanediol Basic information

Product Name:	2,5-Dimethyl-2,5-hexanediol
Synonyms:	1,1,4,4-Tetramethyl-1,4-butanediol;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%
CAS:	110-03-2
MF:	C8H18O2
MW:	146.23
EINECS:	203-731-5
Product Categories:	Organic Building Blocks;Oxygen Compounds;Polyols;Building Blocks;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;bc0001
Mol File:	110-03-2.mol

2,5-Dimethyl-2,5-hexanediol Chemical 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)
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
Water Solubility	SOLUBLE
BRN	1361437
InChIKey	ZWNMRZQYWRLGMM-UHFFFAOYSA-N
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	2,5-Hexanediol, 2,5-dimethyl- (110-03-2)

Safety Information

Safety Statements	22-24/25
WGK Germany	3
TSCA	Yes
HS Code	29053980
Hazardous Substances Data	110-03-2(Hazardous Substances Data)

MSDS Information

Provider	Language
2,5-Dimethyl-2,5-hexanediol	English
ACROS	English
SigmaAldrich	English
ALFA	English

2,5-Dimethyl-2,5-hexanediol Usage And Synthesis

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.
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 S_N2 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.]

2,5-Dimethyl-2,5-hexanediol Preparation Products And Raw materials

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-->1,2,3,4-TETRAHYDRO-1,1,4,4-TETRAMETHYLNAPHTHALENE-->2,5-DICHLORO-2,5-DIMETHYLHEXANE-->1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene

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