Methyl acetoacetate
CAS Number: 105-45-3
Chemical Formula: C5H8O3
Synonyms: Methyl 3-oxobutanoate, 3-Oxobutanoic acid methyl ester, MAA
Appearance: Oil Liquid
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
Products Description
Methyl acetoacetate serves as a key chemical reagent in pharmaceutical synthesis. It takes part in the Biginelli reaction to generate dihydropyrimidinone derivatives. This compound is widely used in preparing α-substituted acetoacetates and cyclic structures such as pyrazoles, pyrimidines, and coumarin derivatives.
Chemical Properties
| Property | Value |
| Melting point | -80 °C (lit.) |
| Boiling point | 169-170 °C/70 mmHg (lit.) |
| density | 1.076 g/mL at 25 °C (lit.) |
| vapor density | 4 (vs air) |
| vapor pressure | 1 hPa (20 °C) |
| refractive index | n20/D 1.419(lit.) |
| Fp | 158 °F |
| storage temp. | 2-8°C |
| solubility | 460 g/L (20°C) |
| pka | 10.67±0.46(Predicted) |
| form | Liquid |
| color | APHA: ≤20 |
| Odor | at 100.00 %. fresh fruity citrus green |
| PH | 3.8 (863g/l, H2O, 20℃) |
| Odor Type | fruity |
| explosive limit | 1.3-14.2%(V) |
| Water Solubility | 460 g/L (20 ºC) |
| Merck | 14,6009 |
| BRN | 506727 |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 |
| InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N |
| SMILES | COC(=O)CC(C)=O |
| LogP | 0.185 (est) |
| CAS DataBase Reference | 105-45-3(CAS DataBase Reference) |
| NIST Chemistry Reference | Butanoic acid, 3-oxo-, methyl ester(105-45-3) |
| EPA Substance Registry System | Methyl acetoacetate (105-45-3) |
Safety Information
| Item | Value |
| Hazard Codes | Xi |
| Risk Statements | 36 |
| Safety Statements | 26 |
| RIDADR | NA1993 |
| WGK Germany | 1 |
| RTECS | AK5775000 |
| Autoignition Temperature | 536 °F |
| TSCA | TSCA listed |
| HazardClass | CBL |
| HS Code | 29183000 |
| Storage Class | 10 – Combustible liquids |
| Hazard Classifications | Eye Dam. 1 |
| Hazardous Substances Data | 105-45-3(Hazardous Substances Data) |
| Toxicity | LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter) |
Product Application
Used as a synthetic reagent and solvent for cellulose ethers in organic chemistry.
Applied as an intermediate for synthesizing organic chemicals and manufacturing nifedipine.
Used in food processing as an amine protecting agent for sweetener synthesis.
Serves as a pharmaceutical raw material for antibiotic production.
Supply & Delivery
Fast delivery time
Inventory: 2-3 working days
New production: 7-10 working days
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