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HomeProduct name list4,4-Dimethyl-2-pentyne

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: 2023-04-23 13:52:06
4,4-Dimethyl-2-pentyne Structural

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)
ghs
Flame
Flammables
GHS02
ghs
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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