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  • Methyl acetoacetate CAS#105-45-3
  • Methyl acetoacetate CAS#105-45-3
  • Methyl acetoacetate CAS#105-45-3
  • Methyl acetoacetate CAS#105-45-3
  • Methyl acetoacetate CAS#105-45-3

›

Methyl acetoacetate CAS#105-45-3

Methyl acetoacetate CAS#105-45-3

Basic Information

Versatile Synthetic Reagent: Widely used in pharmaceutical synthesis and various organic reactions.


Key Role in Named Reactions: Participates in the Biginelli reaction, enabling the formation of valuable dihydropyrimidinone compounds.


Broad Derivative Formation: Supports the synthesis of diverse compounds such as pyrazole, pyrimidine, and coumarin derivatives.


Flexible Chemical Functionality: Suitable for producing α-substituted acetoacetic esters and cyclic structures, enhancing application versatility.



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product description

Product Description of Methyl acetoacetate CAS#105-45-3

Methyl acetoacetate is a chemical reagent widely used in pharmaceutical synthesis. It participates in the Biginelli reaction, enabling the formation of compounds such as dihydropyrimidinones. In addition, methyl acetoacetate (MAA) is utilized in the preparation of α-substituted acetoacetic esters and various cyclic compounds, including pyrazole, pyrimidine, and coumarin derivatives.


Product Application of Methyl acetoacetate CAS#105-45-3

Methyl acetoacetate (MAA) is used in a variety of applications. It serves as a chemical reagent in organic synthesis and can also function as a solvent for cellulose ethers. It is utilized as an intermediate in the preparation of organic compounds, including the synthesis of nifedipine. In addition, it is applied as a food additive, acting as an amine-protecting agent for synthetic sweeteners. MAA is also used as a pharmaceutical raw material in the production of antibiotics.


Product Information

Parameters


Melting point-80 °C (lit.)
Boiling point169-170 °C/70 mmHg (lit.)
density1.076 g/mL at 25 °C (lit.)
vapor density4 (vs air)
vapor pressure1 hPa (20 °C)
refractive indexn20/D 1.419(lit.)
Fp158 °F
storage temp.2-8°C
solubility460 g/L (20°C)
pka10.67±0.46(Predicted)
formLiquid
colorAPHA: ≤20
Odorat 100.00 %. fresh fruity citrus green
PH3.8 (863g/l, H2O, 20℃)
Odor Typefruity
explosive limit1.3-14.2%(V)
Water Solubility460 g/L (20 ºC)
Merck146009
BRN506727
Cosmetics Ingredients FunctionsPERFUMING
InChI1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
InChIKeyWRQNANDWMGAFTP-UHFFFAOYSA-N
SMILESCOC(=O)CC(C)=O
LogP0.185 (est)
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 CodesXi
Risk Statements36
Safety Statements26
RIDADRNA1993
WGK Germany1
RTECSAK5775000
Autoignition Temperature536 °F
TSCATSCA listed
HazardClassCBL
HS Code29183000
Storage Class10 - Combustible liquids
Hazard ClassificationsEye Dam. 1
Hazardous Substances Data105-45-3(Hazardous Substances Data)
ToxicityLD50 orally in rats: 3.0 g/kg (Smyth, Carpenter)


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