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: 2026-01-21 16:47:53
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 | n |
| 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. |
Computed Descriptors for 3,3-Dimethyl-1-butyne
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