4,4-Dimethyl-2-pentyne
- CAS NO.：999-78-0
- Empirical Formula: C7H12
- Molecular Weight: 96.17
- MDL number: MFCD00041613
- EINECS: 633-707-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-05-27 23:39:20
What is 4,4-Dimethyl-2-pentyne?
The Uses of 4,4-Dimethyl-2-pentyne
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.
Synthesis Reference(s)
Tetrahedron Letters, 22, p. 2443, 1981 DOI: 10.1016/S0040-4039(01)92928-4
Properties of 4,4-Dimethyl-2-pentyne
| Melting point: | -82.4°C |
| Boiling point: | 83°C |
| Density | 0.718 |
| refractive index | 1.4071 |
| Flash point: | -10°C |
| form | liquid |
| color | colorless |
| Water Solubility | Immiscible with water. |
| BRN | 1733540 |
| CAS DataBase Reference | 999-78-0 |
| NIST Chemistry Reference | 2-Pentyne, 4,4-dimethyl-(999-78-0) |
Safety information for 4,4-Dimethyl-2-pentyne
| Pictogram(s) |
 Flame Flammables GHS02  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P243:Take precautionary measures against static discharge. P315:Get immediate medical advice/attention. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P403:Store in a well-ventilated place. |
Computed Descriptors for 4,4-Dimethyl-2-pentyne
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