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

3,5-DIMETHYL-1-HEXYN-3-OL
  • CAS No.:107-54-0
Other grades of this product :
3,5-DIMETHYL-1-HEXYN-3-OL Basic information
Product Name:3,5-DIMETHYL-1-HEXYN-3-OL
Synonyms:SURFYNOL 61;3,5-dimethyl-1-hexyl-3-ol;DIMETHYL HEXYNOL;(+/-)-3,5-DIMETHYL-1-HEXYN-3-OL;3,5-DIMETHYL-1-HEXYN-3-OL;3,5-DIMETHYL-1-HEXYNE-3-OL;3,5-dimethyl-1-hexyn-3-o;Surfynol
CAS:107-54-0
MF:C8H14O
MW:126.2
EINECS:203-500-9
Product Categories:Building Blocks;Chemical Synthesis;Acetylenes;Acetylenic Alcohols & Their Derivatives;Alkynes;Organic Building Blocks;Organic Building Blocks;Terminal;POSS
Mol File:107-54-0.mol
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.)
Fp 112 °F
storage temp. Flammables area
pka13.34±0.29(Predicted)
form clear liquid
Specific Gravity0.854 (20/4℃)
color Colorless to Light yellow to Light orange
Water Solubility 11.6g/L at 20℃
InChIKeyNECRQCBKTGZNMH-UHFFFAOYSA-N
LogP1.85
CAS DataBase Reference107-54-0(CAS DataBase Reference)
EPA Substance Registry System3,5-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 Information
ProviderLanguage
SigmaAldrich English
ACROS English
3,5-DIMETHYL-1-HEXYN-3-OL Usage And Synthesis
Chemical Propertiesclear colorless to yellowish liquid
Uses3,5-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 DescriptionBimolecular 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 Preparation Products And Raw materials
Raw materialsTetrahydrofuran-->Potassium tert-butoxide-->4-Methyl-2-pentanone-->Acetylene

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