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Methyl acetoacetate

ALDRICH/537365 - ReagentPlus®, ≥98.5% (GC)

Synonym: MAA; 3-Oxobutanoic acid methyl ester; Acetoacetic acid methyl ester

CAS Number: 105-45-3
Empirical Formula (Hill Notation): C5H8O3
Molecular Weight: 116.12
EC Number: 203-299-8
MDL Number: MFCD00008784
Linear Formula: CH3COCH2COOCH3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-537365-100G 100 g
 $18.00
1/EA		 Add To Favorites
45-537365-1KG 1 kg
 $66.50
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 537365-100G.
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 537365-1KG.

 

assay ≥98.5% (GC)
autoignition temp. 536 °F
bp 169-170 °C/70 mmHg (lit.)
density 1.076 g/mL at 25 °C (lit.)
functional group ester
  ketone
InChI 1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
InChI key WRQNANDWMGAFTP-UHFFFAOYSA-N
manufacturer/tradename Sigma-Aldrich
mp −80 °C (lit.)
product line ReagentPlus®
Quality Level 200 
refractive index n20/D 1.419 (lit.)
SMILES string COC(=O)CC(C)=O
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
Packaging: 1 kg in glass bottle
Packaging: 100 g in glass bottle
Symbol GHS07  GHS07
Signal word Warning
Hazard statements H319
Precautionary statements P305 + P351 + P338
Hazard Codes Xi
Risk Statements 36
Safety Statements 26
WGK Germany WGK 1
Flash Point(F) 158.0 °F - closed cup
Flash Point(C) 70 °C - closed cup
Purity ≥98.5% (GC)
bp 169-170 °C/70 mmHg (lit.)
mp −80 °C (lit.)
Density 1.076 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.419 (lit.)
UNSPSC 12352100

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