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
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.) |
| InChI | 1S/C5H8O3/c1-4(6)3-5(7)8- |
| InChI key | WRQNANDWMGAFTP-UHFFFAOYSA |
| manufacturer/tradename | Sigma-Aldrich |
| mp | −80 °C (lit.) |
| product line | ReagentPlus® |
| refractive index | n |
| 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 |
| 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 | n |
| UNSPSC | 12352100 |