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537365

Methyl acetoacetate

ReagentPlus®, ≥98.5% (GC)

Synonym(s):

MAA, 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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24878214
EC Number:
203-299-8
Beilstein/REAXYS Number:
506727
MDL number:
MFCD00008784
Assay:
≥98.5% (GC)
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Quality Level

200

product line

ReagentPlus®

assay

≥98.5% (GC)

autoignition temp.

536 °F

manufacturer/tradename

Sigma-Aldrich

refractive index

n20/D 1.419 (lit.)

bp

169-170 °C/70 mmHg (lit.)

mp

−80 °C (lit.)

density

1.076 g/mL at 25 °C (lit.)

functional group

ester, ketone

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

Application

Methyl acetoacetate (MAA) can be used as a reactant for:
  • Transesterification with alcohols by using various catalysts.
  • The synthesis of 4-methylcoumarins with phenol in presence of zinc and I2 as catalysts.
  • Asymmetric heterogeneous hydrogenation reactions by transition metal catalysts.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

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pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H318

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

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 3 petroleums + Hazardous rank III + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

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Certificates of Analysis (COA)

Lot/Batch Number
26698PJ
34596LJ
04208JJ
03108BJ
06810KE

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Synergism between microwave and enzyme catalysis in intensification of reactions and selectivities: transesterification of methyl acetoacetate with alcohols.
Yadav GD and Lathi PS
J. Mol. Catal. A: Chem., 223(1-2), 51-56 (2004)
Synthesis and studies of 6, 6′ -BINAP derivatives for the heterogeneous asymmetric hydrogenation of methyl acetoacetate.
Saluzzo C, et al.
Tetrahedron Asymmetry, 13(11), 1141-1146 (2002)
Enantioselective hydrogenation of methyl acetoacetate catalyzed by nickel supported on activated carbon or graphite.
Wolfson A, et al.
Applied Catalysis A: General, 208(1-2), 91-98 (2001)
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