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HomeProduct name list2,4-Dimethyl-3-pentanone

2,4-Dimethyl-3-pentanone

Synonym(s):Diisopropyl ketone;Isobutyrone

  • CAS NO.:565-80-0
  • Empirical Formula: C7H14O
  • Molecular Weight: 114.19
  • MDL number: MFCD00008918
  • EINECS: 209-294-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-11-28 16:31:44
2,4-Dimethyl-3-pentanone Structural

What is 2,4-Dimethyl-3-pentanone?

Chemical properties

2,4-Dimethyl-3-pentanone is a colorless liquid with a characteristic odor similar to that of camphor; it is insoluble in water but soluble in organic solvents.

The Uses of 2,4-Dimethyl-3-pentanone

2,4-Dimethyl-3-pentanone is used in an experimental method to measure the equilibrium isotopic fractionation factor (αeq ) for C-bound H positions adjacent to carbonyl group in ketones.It is a carbonyl compound used in an experimental method to measure the equilibrium isotopic fractionation factor (αeq ) for C-bound H positions adjacent to carbonyl group in ketones. Isobutyrone is a very useful synthetic intermediate. It is an intermediate used to prepare α-aryl ketones. It is also used in Grignard reactions.

The Uses of 2,4-Dimethyl-3-pentanone

DiPK has been used in automotive assembly plants as a ketonic solvent for fuel injectors and as a photoinitiator for IV-curable acrylic coatings in optical fiber gratings. The U.S. production ofDnPK was estimated to be,500,000 lb in 2005 according to the 2006 U.S. EPA Inventory Update Reporting database.

The Uses of 2,4-Dimethyl-3-pentanone

2,4-Dimethyl-3-pentanone was used in an experimental method to measure the equilibrium isotopic fractionation factor (αeq ) for C-bound H positions adjacent to carbonyl group in ketones.

Definition

ChEBI: 2,4-dimethyl-3-pentanone is a pentanone that is pentan-3-one substituted by methyl groups at positions 2 and 4 respectively. It has a role as a metabolite. It is functionally related to a pentan-3-one.

Production Methods

2,4-Dimethyl-3-pentanone is preferably obtained by ketonization of isobutyric acid over a thorium oxide or zirconium oxide catalyst at 430℃.

Synthesis Reference(s)

Tetrahedron Letters, 24, p. 4207, 1983 DOI: 10.1016/S0040-4039(00)88301-X

Purification Methods

Dry the ketone with CaSO4, shake it with chromatographic alumina and fractionally distil it from P2O5 under N2. [Beilstein 1 IV 3334.]

Properties of 2,4-Dimethyl-3-pentanone

Melting point: -80 °C (lit.)
Boiling point: 124 °C (lit.)
Density  0.806 g/mL at 25 °C (lit.)
vapor pressure  17.89hPa at 25℃
refractive index  n20/D 1.400(lit.)
Flash point: 60 °F
storage temp.  Flammables area
form  Liquid
color  Clear colorless to yellow
Water Solubility  insoluble
BRN  773782
Dielectric constant 17.07
CAS DataBase Reference 565-80-0(CAS DataBase Reference)
NIST Chemistry Reference 3-Pentanone, 2,4-dimethyl-(565-80-0)
EPA Substance Registry System 3-Pentanone, 2,4-dimethyl- (565-80-0)

Safety information for 2,4-Dimethyl-3-pentanone

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H332:Acute toxicity,inhalation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.

Computed Descriptors for 2,4-Dimethyl-3-pentanone

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