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
• Refractive Index: 1.3745
• Linear Formula: (CH₃)₃CC≡CH
• Quantity: 5 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

Hazard Category	H225-H315-H319-H335
Hazard Statement	GHS H Statement H225-H304 Highly flammable liquid and vapour. May be fatal if swallowed and enters airways.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P261-P264b-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P332+P313-P363-P370+P378q-P501c
DOTInformation	Hazard Class: 3; Packaging Group: I
EINECSNumber	213-035-3
TSCA	No
Recommended Storage	Keep cold

SDS

RUO – Research Use Only