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129763

2-Methyl-3-butyn-2-ol

98%

Synonym(s):

Dimethyl ethynyl carbinol

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About This Item

Linear Formula:
HC≡CC(CH3)2OH
CAS Number:
115-19-5
Molecular Weight:
84.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24847925
EC Number:
204-070-5
Beilstein/REAXYS Number:
635746
MDL number:
MFCD00004467
Assay:
98%
Form:
liquid
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vapor pressure

15 mmHg ( 20 °C)

Quality Segment

200

assay

98%

form

liquid

autoignition temp.

662 °F

expl. lim.

16.6 %

refractive index

n20/D 1.42 (lit.)

bp

104 °C (lit.)

mp

2.6 °C (lit.)

density

0.868 g/mL at 25 °C (lit.)

functional group

hydroxyl

SMILES string

CC(C)(O)C#C

InChI

1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3

InChI key

CEBKHWWANWSNTI-UHFFFAOYSA-N

General description

2-Methyl-3-butyn-2-ol (MBY) is used as a precursor in the Mannich reaction and can undergo selective semihydrogenation to produce fine chemicals.

Application

2-Methyl-3-butyn-2-ol can be used as a reactant to synthesize:,·
  • Aryl-2-methyl-3-butyn-2-ols via Pd-catalyzed Sonogashira coupling reaction with various aryl bromides.      
  • 2-Methyl-3-buten-2-ol (MBE) by Pd/γ-Al2O3 catalyzed selective hydrogenation reaction. MBE is applicable as an important intermediate in the synthesis of vitamin A.      
  • Diarylacetylenes via Pd-catalyzed Sonogashira coupling reaction with aryl chlorides in the presence of Cs2CO3 as a base. 
  • Optically active propargylic alcohols by enantioselective addition reaction with various aldehydes in the presence of Zn(OTf)2 and N-methylephedrine.

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Flam. Liq. 2 - Repr. 2 - STOT SE 3

target_organs

Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

66.2 °F - closed cup

flash_point_c

19 °C - closed cup

ppe

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

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