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537365

Sigma-Aldrich

Methyl acetoacetate

ReagentPlus®, 99%

Synonym(s):
MAA, 3-Oxobutanoic acid methyl ester, Acetoacetic acid methyl ester
Linear Formula:
CH3COCH2COOCH3
CAS Number:
Molecular Weight:
116.12
Beilstein:
506727
EC Number:
MDL number:
PubChem Substance ID:

Quality Level

product line

ReagentPlus®

assay

99%

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.)

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

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Application

Methyl acetoacetate (MAA) can be used as a reactant for:
  • Transesterification with alcohols by using various catalysts.
[68][69]
  • The synthesis of 4-methylcoumarins with phenol in presence of zinc and I2 as catalysts.
  • [69]
  • Asymmetric heterogeneous hydrogenation reactions by transition metal catalysts.
  • [70][71]

    Packaging

    100 g in glass bottle
    1 kg in glass bottle

    Other Notes

    Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 537365.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

    Legal Information

    ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

    Pictograms

    Exclamation mark

    Signal Word

    Warning

    Hazard Statements

    Precautionary Statements

    Hazard Classifications

    Eye Irrit. 2

    Storage Class Code

    10 - Combustible liquids

    WGK

    WGK 1

    Flash Point(F)

    158.0 °F - closed cup

    Flash Point(C)

    70 °C - closed cup

    Personal Protective Equipment

    dust mask type N95 (US), Eyeshields, Gloves

    Certificate of Analysis

    Enter Lot Number to search for Certificate of Analysis (COA).

    Certificate of Origin

    Enter Lot Number to search for Certificate of Origin (COO).

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