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3,5-Dimethyl-1-hexyn-3-ol

ALDRICH/278394 - 98%

Synonym: 3,5-Dimethyl-1-hexyne-3-ol; 3,5-Dimethylhexyn-3-ol

CAS Number: 107-54-0
Empirical Formula (Hill Notation): C8H14O
Molecular Weight: 126.20
EC Number: 203-500-9
MDL Number: MFCD00008941
Linear Formula: (CH3)2CHCH2C(CH3)(OH)C≡CH
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-278394-100ML 100 mL
 $49.40
1/EA		 Add To Favorites
45-278394-500ML 500 mL
 $169.00
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 278394-100ML.
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 278394-500ML.

 

assay 98%
bp 150-151 °C (lit.)
density 0.859 g/mL at 25 °C (lit.)
form liquid
InChI 1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
InChI key NECRQCBKTGZNMH-UHFFFAOYSA-N
Quality Level 200 
refractive index n20/D 1.434 (lit.)
SMILES string CC(C)CC(C)(O)C#C
vapor density 4.34 (vs air)
vapor pressure 4.5 mmHg ( 20 °C)
Application: 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.
Packaging: 100, 500 mL in glass bottle
Purity 98%
bp 150-151 °C (lit.)
Density 0.859 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.434 (lit.)
UNSPSC 12352100

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