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282855

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

Name: 3-Methyl-2,4-pentanedione, mixture of tautomers
Brand: ALDRICH

technical grade, 85%

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About This Item

Linear Formula:

CH₃COCH(CH₃)COCH₃

CAS Number:

815-57-6

Molecular Weight:

114.14

NACRES:

NA.22

PubChem Substance ID:

24857077

UNSPSC Code:

12352100

EC Number:

212-420-3

MDL number:

MFCD00008762

Assay:

85%

Form:

liquid

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Properties

grade

technical grade

Quality Level

100

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.)

functional group

ketone

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

Description

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

GHS02,GHS07

signalword

Warning

hcodes

H226,H315,H319,H335

pcodes

P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

134.6 °F - closed cup

flash_point_c

57 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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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)

Chemiluminescent aldehyde and beta-diketone reactions promoted by peroxynitrite.

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

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)

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Global Trade Item Number

SKU	GTIN
282855-25G	04061836683832