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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 Segment

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

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