3,3-Dimethyl-1-butyne, 98%, Thermo Scientific Chemicals

Description

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Miscible with chloroform, benzene and toluene. Immiscible with water.

Notes
Store in a cool place. Incompatible with strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 917-92-0
• Molecular Formula: C6H10
• Molecular Weight (g/mol): 82.146
• MDL Number: MFCD00008852
• InChI Key: PPWNCLVNXGCGAF-UHFFFAOYSA-N
• PubChem CID: 13512
• IUPAC Name: 3,3-dimethylbut-1-yne
• SMILES: CC(C)(C)C#C

• Melting Point: -78°C
• Density: 0.671
• Boiling Point: 37°C to 38°C
• Flash Point: <−34°C (−29°F)
• Odor: Recognizable
• Linear Formula: (CH₃)₃CC≡CH
• Refractive Index: 1.3745
• Quantity: 25 g
• UN Number: UN3295
• Beilstein: 1697100
• Synonym: 3,3-dimethyl-1-butyne, tert-butylacetylene, t-butylacetylene, 3,3-dimethylbutyne, 1-butyne, 3,3-dimethyl, t-butyl acetylene, 3,3,3-trimethylpropyne, 1-butyne,3,3-dimethyl, tertbutylacetylene, tert-butylacetyiene
• Solubility Information: Miscible with chloroform,benzene and toluene. Immiscible with water.
• Formula Weight: 82.15
• Percent Purity: 98%
• Chemical Name or Material: 3,3-Dimethyl-1-butyne

Safety and Handling

Product Identifier

• 3,3-Dimethyl-1-butyne

Signal Word

• Danger

Hazard Category

• LONG-TERM AQUATIC HAZARD Chronic 3
• Flammable liquid Category 2

Hazard Statement

• H225-Highly flammable liquid and vapour.
• H412-Harmful to aquatic life with long lasting effects.

Precautionary Statement

• P210-Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
• P303+P361+P353-IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/ shower.
• P403+P233-Store in a well-ventilated place. Keep container tightly closed.

Supplemental information

• MIXTURE LIST-Contains : 3,3-Dimethylbutyne

RUO – Research Use Only