ChemicalBook CAS DataBase List 565-80-0

565-80-0

Name	2,4-Dimethyl-3-pentanone
CAS	565-80-0
EINECS(EC#)	209-294-7
Molecular Formula	C7H14O
MDL Number	MFCD00008918
Molecular Weight	114.19
MOL File	565-80-0.mol

Synonyms

2,4-DIMETHYL-3-PENTANONE DIISOPROPYL KETONE ISOBUTYRONE (iso-C3H7)2CO 2,4-dimethyl-3-pentanon 2,4-dimethyl-3-pentanone (diisopropyl ketone) 2,4-Dimethylpentan-3-on 2,4-dimethyl-pentan-3-one 2,4-Dimethylpentan-3-one 3-pentanone,2,4-dimethyl- Diisopropylketon isobutyron Isopropyl ketone isopropylketone pm2763 Diisopropylketone,98% DIISOPROPYL KETONE (2,4-DIMETHYL-3-PENTANONE) 2,4-dimethylpentan-3-one di-isopropyl ketone Diisopropyl ketone, Isobutyrone 2,4-Dimethylpentanone

Chemical Properties

Appearance	clear colorless to yellow liquid
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.)
Fp	60 °F
storage temp.	Flammables area
form	Liquid
color	Clear colorless to yellow
Water Solubility	insoluble
Specific Heat Capacity	Cp(liquid):233.7J/(g·K),at 25℃
BRN	773782
Henry's Law Constant	2.3×10^-2 mol/(m³Pa) at 25℃, Brockbank (2013)
Dielectric constant	17.07
InChI	1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
InChIKey	HXVNBWAKAOHACI-UHFFFAOYSA-N
SMILES	CC(C)C(=O)C(C)C
LogP	1.58-1.86 at 23℃
CAS DataBase Reference	565-80-0(CAS DataBase Reference)
NIST Chemistry Reference	3-Pentanone, 2,4-dimethyl-(565-80-0)
EPA Substance Registry System	565-80-0(EPA Substance)

Safety Data

Hazard Codes	F,Xn
Risk Statements	R11:Highly Flammable. R20:Harmful by inhalation. less more
Safety Statements	S9:Keep container in a well-ventilated place . S16:Keep away from sources of ignition-No smoking . S24/25:Avoid contact with skin and eyes . less more
RIDADR	UN 1224 3/PG 2
WGK Germany	1
RTECS	SA8575500
TSCA	Yes
REACH Registrations	Active
HazardClass	3
PackingGroup	II
HS Code	29141990
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Inhalation Flam. Liq. 2

Hazard Information

Chemical Properties

clear colorless to yellow liquid

Uses

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

Uses

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.

Uses

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.

Definition

ChEBI: A pentanone that is pentan-3-one substituted by methyl groups at positions 2 and 4 respectively.

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.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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