Skip to Content
Merck
CN

Key Documents

View All Documentation

278394

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

98%

Synonym(s):

3,5-Dimethyl-1-hexyne-3-ol, 3,5-Dimethylhexyn-3-ol

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Linear Formula:
(CH3)2CHCH2C(CH3)(OH)C≡CH
CAS Number:
107-54-0
Molecular Weight:
126.20
NACRES:
NA.22
PubChem Substance ID:
24856811
UNSPSC Code:
12352100
EC Number:
203-500-9
MDL number:
MFCD00008941
Assay:
98%
Form:
liquid
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

vapor density

4.34 (vs air)

Quality Level

200

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.

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

111.2 °F - closed cup

flash_point_c

44 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCS0809
MKCQ8218
MKCQ3190
MKCL0896
MKCK0603

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Articles

Functionalized Alkynes

Alkynes' versatility enables reactions like addition, metathesis, hydroboration, cleavage, coupling, and cycloadditions in synthetic chemistry.

Neutral ionic liquid [BMIm] BF4 promoted highly selective esterification of tertiary alcohols by acetic anhydride.
Duan Z, et al.
J. Mol. Catal. A: Chem., 246(1-2), 70-75 (2006)
A New approach for the generation and reaction of organotin hydrides: the development of reactions catalytic in tin.
Terstiege I and Maleczka R E
The Journal of Organic Chemistry, 64(2), 342-343 (1999)
The hydroxyl radical reaction rate constant and products of 3, 5-dimethyl-1-hexyn-3-ol.
Wells JR.
International Journal of Chemical Kinetics, 36(10), 534-544 (2004)
View All Related Papers

Global Trade Item Number

SKUGTIN
278394-100ML04061837581014
278394-500ML04061837581021