4,4-Dimethyl-2-pentyne, 97+%

Description

CAS: 999-78-0 | C7H12 | 96.17 g/mol

4,4-Dimethyl-2-pentyne is used in organometallic reactions for regioselectivity of its insertion into the Pd-C bond of cyclopalladated complexes. It is also used to prepare pyrimidine-dione by reacting with isocyanate in the presence of nickel/ N-heterocyclic carbene.

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
4,4-Dimethyl-2-pentyne is used in organometallic reactions for regioselectivity of its insertion into the Pd-C bond of cyclopalladated complexes. It is also used to prepare pyrimidine-dione by reacting with isocyanate in the presence of nickel/ N-heterocyclic carbene.

Solubility
Immiscible with water.

Notes
Incompatible with oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 999-78-0
• Molecular Formula: C7H12
• Molecular Weight (g/mol): 96.17
• MDL Number: MFCD00041613
• InChI Key: FOALCTWKQSWRST-UHFFFAOYSA-N
• Synonym: 4,4-dimethyl-2-pentyne, 2-pentyne, 4,4-dimethyl, acmc-20amsk, t-butylmethylacetylene, propyne, 1-tert-butyl, 2,2-dimethyl-3-pentyne, 4,4-dimethyl-pent-2-yne, tert-c4h9 c.$.cch3, tert-butylmethylacetylene, 4,4-dimethyl-2-pentyne,
• PubChem CID: 136786
• IUPAC Name: 4,4-dimethylpent-2-yne
• SMILES: CC#CC(C)(C)C

• Density: 0.718
• Boiling Point: 82°C
• Flash Point: −10°C (14°F)
• Odor: Petrol-like
• Refractive Index: 1.4085
• Linear Formula: (CH₃)₃CC≡CCH₃
• Quantity: 1 g
• UN Number: UN3295
• Beilstein: 1733540
• Solubility Information: Immiscible with water.
• Formula Weight: 96.17
• Percent Purity: ≥97%
• Chemical Name or Material: 4,4-Dimethyl-2-pentyne

Safety and Handling

Hazard Category	H225-H304
Hazard Statement	GHS H Statement H225-H304 Highly flammable liquid and vapor. May be fatal if swallowed and enters airways.
Precautionary Statement	P210-P233-P240-P241-P242-P243-P280-P301+P310-P303+P361+P353-P331-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: II; Proper Shipping Name: HYDROCARBONS, LIQUID, N.O.S.
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only