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10913

Methyl acetoacetate

Name: Methyl acetoacetate
Brand: ALDRICH

Wacker Chemie AG, ≥99.0% (GC)

Synonym(s):

ACM, 3-Oxobutanoic acid methyl ester, Acetoacetic acid methyl ester

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About This Item

Linear Formula:

CH₃COCH₂COOCH₃

CAS Number:

105-45-3

Molecular Weight:

116.12

EC Number:

203-299-8

UNSPSC Code:

12352100

PubChem Substance ID:

57646849

Beilstein/REAXYS Number:

506727

MDL number:

MFCD00008784

Assay:

≥99.0% (GC)

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Properties

assay

≥99.0% (GC)

autoignition temp.

536 °F

manufacturer/tradename

Wacker Chemie AG

refractive index

n20/D 1.419 (lit.)

bp

169-170 °C/70 mmHg (lit.)

mp

−80 °C (lit.)

solubility

H₂O: soluble 2 parts, alcohol: miscible, diethyl ether: miscible

density

1.076 g/mL at 25 °C (lit.)

SMILES string

COC(=O)CC(C)=O

InChI

1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3

InChI key

WRQNANDWMGAFTP-UHFFFAOYSA-N

Description

General description

Methyl acetoacetate undergoes asymmetric hydrogenation to form (R)-(-)-methyl-3-hydroxybutyrate in the presence of enantioselective Ni/SiO₂ catalysts. It undergoes Pechmann reactions with phenols in various ionic liquids.

Application

Methyl acetoacetate was used in development of a simple and cost effective method for monitoring of trace formaldehyde in air. It was used to study the substrate specificity of NADPH-dependent diacetyl reductase in Escherichia coli.

Other Notes

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pictograms

GHS05

signalword

Danger

hcodes

H318

pcodes

P280 - P305 + P351 + P338

Hazard Classifications

Eye Dam. 1

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

158.0 °F - closed cup

flash_point_c

70 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Sol-gel based sensor for selective formaldehyde determination.

Opas Bunkoed et al.

Analytica chimica acta, 659(1-2), 251-257 (2010-01-28)

We report the development of transparent sol-gels with entrapped sensitive and selective reagents for the detection of formaldehyde. The sampling method is based on the adsorption of formaldehyde from the air and reaction with beta-diketones (for example acetylacetone) in a

Pechmann reaction in non-chloroaluminate acidic ionic liquids under solvent-free conditions.

Gu Y, et al.

Advanced Synthesis & Catalysis, 347(4), 512-516 (2005)

Purification and properties of a diacetyl reductase from Escherichia coli.

P Silber et al.

Journal of bacteriology, 118(3), 919-927 (1974-06-01)

A reduced nicotinamide adenine dinucleotide phosphate (NADPH)-dependent reductase with the ability to reduce diacetyl has been isolated from Escherichia coli and has been purified 800-fold to near homogeneity. The product of the reduction of diacetyl was shown to be acetoin.

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Global Trade Item Number

SKU	GTIN
248665-100G	04061825928302
248665-500G	04061825928319
10913-220KG	04061836698515