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Methyl acetoacetate

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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.)
  • Flash point:158 °F
  • storage temp. 2-8°C
  • solubility 460 g/L (20°C)
  • pka10.67±0.46(Predicted)
  • form Liquid
  • color APHA: ≤20
  • PH3.8 (863g/l, H2O, 20℃)
  • explosive limit1.3-14.2%(V)
  • Water Solubility 460 g/L (20 ºC)
  • Merck 14,6009
  • BRN 506727
  • InChIKeyWRQNANDWMGAFTP-UHFFFAOYSA-N
  • CAS DataBase Reference105-45-3(CAS DataBase Reference)
  • NIST Chemistry ReferenceButanoic acid, 3-oxo-, methyl ester(105-45-3)
  • EPA Substance Registry SystemMethyl acetoacetate (105-45-3)
Safety Information
  • Hazard Codes Xi
  • Risk Statements 36
  • Safety Statements 26
  • WGK Germany 1
  • RTECS AK5775000
  • Autoignition Temperature536 °F
  • TSCA Yes
  • HS Code 29183000
  • Hazardous Substances Data105-45-3(Hazardous Substances Data)
  • ToxicityLD50 orally in rats: 3.0 g/kg (Smyth, Carpenter)
MSDS
  • Language:EnglishProvider:MAA
  • Language:EnglishProvider:SigmaAldrich
  • Language:EnglishProvider:ACROS
  • Language:EnglishProvider:ALFA
Methyl acetoacetate Usage And Synthesis
  • Chemical PropertiesColorless, clear liquid
  • UsesMethyl 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.
  • Uses3-Oxobutanoic Acid Methyl Ester is a chemical reagent used in the synthesis of pharmaceuticals. It participates in the Biginelli reaction, forming molecules including dihydropyrimidinones.
  • UsesMethyl 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 MethodsMethyl acetoacetate is produced by a reaction of methyl acetate with sodium methoxide.
  • General DescriptionA clear colorless liquid. Flash point 158°F. Denser than water and slightly soluble in water. Vapors heavier than air.
  • Air & Water ReactionsVery slightly soluble in water.
  • Reactivity ProfileMethyl 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
  • HazardToxic by ingestion and inhalation.
  • Health HazardMay be harmful by inhalation, ingestion, or skin absorption. Causes eye irritation. May cause skin irritation.
  • Safety ProfileModerately 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.
  • CarcinogenicityNot listed by ACGIH, IARC, NTP, or California Proposition 65.
Methyl acetoacetate Preparation Products And Raw materials
Methyl acetoacetate(105-45-3)Related Product Information
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