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282855

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
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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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

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

signalword

Warning

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 2 petroleums + Hazardous rank III + Water insoluble liquid

fsl

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Certificates of Analysis (COA)

Lot/Batch Number
01522DJ
15202TC
13908DA
10612KZ
06026BU

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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)
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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