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| Methyl acetoacetate Basic information |
| Methyl acetoacetate Chemical Properties |
| 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 | | PH | 3.8 (863g/l, H2O, 20℃) | | explosive limit | 1.3-14.2%(V) | | Water Solubility | 460 g/L (20 ºC) | | Merck | 14,6009 | | BRN | 506727 | | InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N | | 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) |
| Hazard Codes | Xi | | Risk Statements | 36 | | Safety Statements | 26 | | WGK Germany | 1 | | RTECS | AK5775000 | | Autoignition Temperature | 536 °F | | TSCA | Yes | | HS Code | 29183000 | | Hazardous Substances Data | 105-45-3(Hazardous Substances Data) | | Toxicity | LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter) |
| Methyl acetoacetate Usage And Synthesis |
| Chemical Properties | Colorless, clear liquid | | Uses | Methyl acetoacetate (MAA) is a starting material for the syntheses of alpha-substituted aceto- acetic esters and cyclic compounds, e.g. pyrazole, pyrimidine and coumarin derivatives. | | Uses | 3-Oxobutanoic Acid Methyl Ester is a chemical reagent used in the synthesis of pharmaceuticals. It participates in the Biginelli reaction, forming molecules including dihydropyrimidinones. | | Uses | Methyl acetoacetate is used as a chemical reagent used in the synthesis of pharmaceuticals. It participates in the Biginelli reaction, forming molecules including dihydropyrimidinones.Methyl acetoacetate (MAA) is used for the synthesis of alpha-substituted aceto- acetic esters and cyclic compounds, e.g. pyrazole, pyrimidine and coumarin derivatives. | | Production Methods | Methyl acetoacetate is produced by a reaction of methyl
acetate with sodium methoxide. | | General Description | A clear colorless liquid. Flash point 158°F. Denser than water and slightly soluble in water. Vapors heavier than air. | | Air & Water Reactions | Very slightly soluble in water. | | Reactivity Profile | Methyl acetoacetate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides | | Hazard | Toxic by ingestion and inhalation. | | Health Hazard | May be harmful by inhalation, ingestion, or skin absorption. Causes eye irritation. May cause skin irritation. | | Safety Profile | Moderately toxic by
ingestion. A skin and severe eye irritant.
Combustible when exposed to heat or
flame. To fight fire, use foam, CO2, dry
chemical. When heated to decomposition it
emits acrid smoke and irritating fumes. See
also ESTERS. | | Carcinogenicity | Not listed by ACGIH, IARC,
NTP, or California Proposition 65. |
| Methyl acetoacetate Preparation Products And Raw materials |
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