278394
3,5-Dimethyl-1-hexyn-3-ol
98%
Synonym(s):
3,5-Dimethyl-1-hexyne-3-ol, 3,5-Dimethylhexyn-3-ol
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About This Item
Linear Formula:
(CH3)2CHCH2C(CH3)(OH)C≡CH
CAS Number:
Molecular Weight:
126.20
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
vapor density
4.34 (vs air)
Quality Level
vapor pressure
4.5 mmHg ( 20 °C)
Assay
98%
form
liquid
refractive index
n20/D 1.434 (lit.)
bp
150-151 °C (lit.)
density
0.859 g/mL at 25 °C (lit.)
functional group
hydroxyl
SMILES string
CC(C)CC(C)(O)C#C
InChI
1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
InChI key
NECRQCBKTGZNMH-UHFFFAOYSA-N
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.
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.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 3
Storage Class Code
3 - Flammable liquids
WGK
WGK 3
Flash Point(F)
111.2 °F - closed cup
Flash Point(C)
44 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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