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745723

Sigma-Aldrich

3-Methyl-1-butyne

95%

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Synonym(s):
1-Isopentyne, 2-Methyl-3-butyne, 3,3-Dimethyl-1-propyne, Isopropylacetylene, Isopropylethyne
Empirical Formula (Hill Notation):
C5H8
CAS Number:
Molecular Weight:
68.12
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Assay

95%

form

liquid

refractive index

n20/D 1.374

density

0.666 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

C#CC(C)C

InChI

1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3

InChI key

USCSRAJGJYMJFZ-UHFFFAOYSA-N

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This Item
27437264148687189
3-Methyl-1-butyne 95%

Sigma-Aldrich

745723

3-Methyl-1-butyne

Bromobutide certified reference material, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Supelco

64148

Bromobutide

form

liquid

form

-

form

-

form

liquid

refractive index

n20/D 1.374

refractive index

n20/D 1.489 (lit.)

refractive index

-

refractive index

n20/D 1.4237

density

0.666 g/mL at 25 °C (lit.)

density

1.29 g/mL at 20 °C (lit.)

density

-

density

0.79 g/mL at 25 °C

storage temp.

2-8°C

storage temp.

2-8°C

storage temp.

-

storage temp.

2-8°C

Quality Level

100

Quality Level

200

Quality Level

300

Quality Level

100

Application

3-Methyl-1-butyne can be used as a reactant in the ruthenium-catalyzed synthesis of functionalized cycloheptadienes and titanium-catalyzed [2+2+1] multicomponent pyrrole synthesis. It is also used as a precursor in the total syntheses of (+)-frondosin A, (−)-citrinadin A, (+)-citrinadin B and coraxeniolide A.
3-Methyl-1-butyne is a terminal alkyne that can be used to prepare:
  • Maleimide-fused cyclopentenones by reacting with N-substituted maleimides via Co2(CO)8-mediated Pauson−Khand reaction.
  • An alkyne carboxylic acid (Alkyne Segment C) intermediate, which is used in the total synthesis of oscillatoxin D and its analogs.

Pictograms

Flame

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Flam. Liq. 1

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

-22.0 °F

Flash Point(C)

-30 °C


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