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282855

Sigma-Aldrich

3-Methyl-2,4-pentanedione, mixture of tautomers

technical grade, 85%

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About This Item

Linear Formula:
CH3COCH(CH3)COCH3
CAS Number:
815-57-6
Molecular Weight:
114.14
EC Number:
212-420-3
MDL number:
MFCD00008762
UNSPSC Code:
12352100
PubChem Substance ID:
24857077
NACRES:
NA.22

grade

technical grade

Assay

85%

form

liquid

refractive index

n20/D 1.442 (lit.)

bp

172-174 °C (lit.)

density

0.981 g/mL at 25 °C (lit.)

SMILES string

CC(C(C)=O)C(C)=O

InChI

1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3

InChI key

GSOHKPVFCOWKPU-UHFFFAOYSA-N

General description

Peroxynitrite promoted aerobic oxidation of 3-methyl-2,4-pentanedione has been reported. The kinetics of the reaction of OH radicals with 3-methyl-2,4-pentanedione has been investigated in the gas-phase using a pulsed laser photolysis-laser induced fluorescence technique. 3-methyl-2,4-pentanedione participates in asymmetric substitution of 1,3-diphenyl-2-propenyl acetate catalyzed by amphiphilic resin-supported monodentate phosphine ligands.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

134.6 °F - closed cup

Flash Point(C)

57 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Palladium-catalyzed asymmetric allylic substitution in aqueous media using amphiphilic resin-supported MOP ligands.
Uozumi Y, et al.
Tetrahedron Letters, 39(45), 8303-8306 (1998)
Rate coefficients for the reactions of OH radicals with the keto/enol tautomers of 2, 4-pentanedione and 3-methyl-2, 4-pentanedione, allyl alcohol and methyl vinyl ketone using the enols and methyl nitrite as photolytic sources of OH.
Holloway A-L, et al.
Journal of Photochemistry and Photobiology A: Chemistry, 176(1), 183-190 (2005)
F S Knudsen et al.
Chemical research in toxicology, 13(5), 317-326 (2000-05-17)
Peroxynitrite is shown here to promote the aerobic oxidation of isobutanal (IBAL) and 3-methyl-2,4-pentanedione (MP) in a pH 7.2 phosphate buffer into acetone plus formate and biacetyl plus acetate, respectively. These products are expected from dioxetane intermediates, whose thermolysis is
Jiyuan Jin et al.
Chemosphere, 223, 628-635 (2019-02-25)
Quinones are components of electron transport chains in photosynthesis and respiration. Acetylacetone (AA), structurally similar to benzoquinone (BQ) for the presence of two identical carbonyl groups, has been reported as a quinone-like electron shuttle. Both BQ and AA are important
Marzena Fandzloch et al.
Journal of inorganic biochemistry, 176, 144-155 (2017-09-15)
Tropical diseases currently constitute a major health problem and thus a challenge in the field of drug discovery. The current treatments show serious disadvantages due to cost, toxicity, long therapy duration and resistance, and the use of metal complexes as
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