3,3-Dimethyl-1-butyne

Synonym(s):tert-Butylacetylene

CAS NO.：917-92-0
Empirical Formula: C6H10
Molecular Weight: 82.14
MDL number: MFCD00008852
EINECS: 213-035-3
SAFETY DATA SHEET (SDS)
Update Date: 2024-11-04 20:04:50

What is 3,3-Dimethyl-1-butyne?

Chemical properties

colourless liquid

The Uses of 3,3-Dimethyl-1-butyne

3,3-Dimethyl-1-butyne is used as an active pharmaceutical intermediate for terbinafine. It is also used in the preparation of 2,2,7,7-tetramethyl-octa-3,5-diyne. Further, it is used in the synthesis of erythro and threo isomers of B-(3,3-dimethyl-1,2-dideuterio-1-butyl)-9-BBN by hydroboration-deuteronolysis-hydroboration sequence.

Synthesis Reference(s)

Tetrahedron Letters, 25, p. 2089, 1984 DOI: 10.1016/S0040-4039(01)81168-0

Properties of 3,3-Dimethyl-1-butyne

Melting point:	-78 °C (lit.)
Boiling point:	37-38 °C (lit.)
Density	0.667 g/mL at 25 °C (lit.)
vapor pressure	7.88 psi ( 20 °C)
refractive index	n20/D 1.374(lit.)
Flash point:	<−30 °F
storage temp.	2-8°C
solubility	Chloroform (Slightly), Methanol (Slightly)
form	Liquid
color	Clear colorless
PH	7.51 at 24.8℃ and 10g/L
Water Solubility	Miscible with chloroform, benzene and toluene. Immiscible with water.
BRN	1697100
Stability:	Stable, but highly flammable. Readily forms explosive mixtures with air. Note low flash point.
CAS DataBase Reference	917-92-0(CAS DataBase Reference)
NIST Chemistry Reference	1-Butyne, 3,3-dimethyl-(917-92-0)

Safety information for 3,3-Dimethyl-1-butyne

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02
GHS Hazard Statements	H225:Flammable liquids H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P242:Use only non-sparking tools. P273:Avoid release to the environment.