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

CAS NO.：107-54-0
Empirical Formula: C8H14O
Molecular Weight: 126.2
MDL number: MFCD00008941
EINECS: 203-500-9
SAFETY DATA SHEET (SDS)
Update Date: 2024-08-05 20:55:42

What is 3,5-DIMETHYL-1-HEXYN-3-OL?

Chemical properties

clear colorless to yellowish liquid

The Uses of 3,5-DIMETHYL-1-HEXYN-3-OL

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.

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

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
form	clear liquid
pka	13.34±0.29(Predicted)
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℃
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 for 3,5-DIMETHYL-1-HEXYN-3-OL

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Skull and Crossbones Acute Toxicity GHS06
GHS Hazard Statements	H226:Flammable liquids H319:Serious eye damage/eye irritation
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.