2,5-Dimethyl-3-hexyne-2,5-diol

Inquiry

Molecular Formula:

C8H14O2

Molecular Weight:

142.20

CAS Number:

142-30-3

Catalog Number:

142-30-3

Product Information

Molecular Formula:

C8H14O2

Molecular Weight:

142.20

Description

2,5-Dimethyl-3-hexyne-2,5-diol (CAS# 142-30-3) is a useful research chemical.

Synonyms

2,5-dimethyl-3-hexyne-2,5-diol; 2,5-dimethylhex-3-yne-2,5-diol

IUPAC Name

2,5-dimethylhex-3-yne-2,5-diol

Canonical SMILES

CC(C)(C#CC(C)(C)O)O

InChI

InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3

InChI Key

IHJUECRFYCQBMW-UHFFFAOYSA-N

Boiling Point

121-123 °C / 7 mmHg (lit.)

Melting Point

95 °C

Flash Point

284 °F

Purity

98 %

Density

1.023 g/cm³

Solubility

Sol in water; very sol in alcohol, Ether, Acetone; very sol in benzene; sol in chloroform

Appearance

White crystals

Application

Used as a wire-drawing lubricant, antifoaming agent, coupling agent in resin coatings, and a chemical intermediate for fragrances and peroxide catalysts.

Refractive Index

n20/D 1.4381 (lit.)

LogP

0.53160

Vapor Pressure

0.00981 [mmHg]

Safety Information

Precautionary Statement

P261, P264, P272, P280, P285, P302+P352, P304+P341, P305+P351+P338, P321, P333+P313, P337+P313, P342+P311, P363, and P501

Signal Word

Danger

Computed Properties

XLogP3

0.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

142.099379685 g/mol

Monoisotopic Mass

142.099379685 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

160

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113735685-A	Method for co-producing dimethylhexynol and methylbutynol	2021-09-27
CN-113388360-A	Two-component polyurethane adhesive capable of being rapidly cured in long opening time	2021-06-29
CN-113248348-A	Energy-saving process for acetylenic ketone reaction device	2021-05-28
CN-113019369-A	Copper-cobalt composite oxide supported catalyst and preparation method and application thereof	2021-03-23
CN-112962165-A	Spandex fiber with reversible three-shape memory effect and preparation method and application thereof	2021-01-21
CN-112663168-A	Spandex fiber with reversible shape memory effect and preparation method and application thereof	2020-12-22
CN-113265029-A	Long-chain branched polylactic acid with high melt strength and excellent processing fluidity and preparation method thereof	2020-11-26
CN-113265129-A	Foaming-grade polylactic acid with excellent processing fluidity and preparation method thereof	2020-11-26
CN-112466585-A	Preparation method of low-current noise high-resistance dispersive sheet type resistance slurry	2020-11-12
CN-112466585-B	Preparation method of low-current noise high-resistance dispersive sheet type resistance slurry	2020-11-12

Literatures

PMID	Publication Date	Title	Journal
16129706	2005-09-05	Type I interferons act directly on CD8 T cells to allow clonal expansion and memory formation in response to viral infection	The Journal of experimental medicine
16161315	2005-01-01	[Regulation of glycemia, just where and when in the aged?]	Journees annuelles de diabetologie de l'Hotel-Dieu

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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