3,5-DIMETHYL-1-HEXYN-3-OL Chemical Properties

Melting point:

-39°C (estimate)

Boiling point:

150-151 °C (lit.)

Density 

0.859 g/mL at 25 °C (lit.)

vapor density 

4.34 (vs air)

vapor pressure 

4.5 mm Hg ( 20 °C)

refractive index 

n20/D 1.434(lit.)

Flash point:

112 °F

storage temp. 

Flammables area

solubility 

soluble in Chloroform, Ethyl Acetate

pka

13.34±0.29(Predicted)

form 

clear liquid

Specific Gravity

0.854 (20/4℃)

color 

Colorless to Light yellow to Light orange

Odor

camphor-like odor

Water Solubility 

11.6g/L at 20℃

InChIKey

NECRQCBKTGZNMH-UHFFFAOYSA-N

LogP

1.85

CAS DataBase Reference

107-54-0(CAS DataBase Reference)

EPA Substance Registry System

3,5-Dimethyl-1-hexyn-3-ol (107-54-0)

Safety Information

Hazard Codes 

T

Risk Statements 

10-23/24/25-36

Safety Statements 

16-26-36/37/39-45

RIDADR 

UN 1986 3/PG 3

WGK Germany 

3

HazardClass 

3.2

PackingGroup 

III

HS Code 

29052900

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

3,5-DIMETHYL-1-HEXYN-3-OL Usage And Synthesis

Chemical Properties

clear colorless to yellowish liquid

Uses

3,5-Dimethyl-1-hexyn-3-ol may be used to synthesize:

• 3,5-Dimethyl-1-phenyl-1-hexen-3-ol via one-pot palladium-mediated hydrostannylation/Stille cross-coupling.
• 3,5-dimethyl-1-hexyn-3-acetate via esterification with acetic anhydride in a neutral ionic liquid (1-butyl-3-methylimidazolium tetrafluoroborate).
• 3,5-Dimethyl-3-hydroxy-1-hexen-1-yl benzoate via anti-Markovnikov addition of benzoic acid.

General Description

Bimolecular rate constant for the reaction of the hydroxyl radical (OH) with 3,5-dimethyl-1-hexyn-3-ol has been been measured using the relative rate technique. Reaction of CO₂ with 3,5-dimethyl-1-hexyn-3-ol catalyzed by CuCl in different ionic liquids and solvents has been investigated.

3,5-DIMETHYL-1-HEXYN-3-OL(107-54-0)Related Product Information

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