CAS 105-45-3

Methyl acetoacetate

Description:

Methyl acetoacetate, with the CAS number 105-45-3, is an organic compound classified as a beta-keto ester. It has a molecular formula of C5H8O3 and features a characteristic structure that includes both an ester and a ketone functional group. This compound is typically a colorless to pale yellow liquid with a fruity odor, making it useful in flavoring and fragrance applications. Methyl acetoacetate is soluble in organic solvents such as ethanol and ether, but has limited solubility in water due to its hydrophobic alkyl chain. It is known for its reactivity in various chemical reactions, including condensation and acylation, which makes it valuable in synthetic organic chemistry, particularly in the synthesis of pharmaceuticals and agrochemicals. Additionally, it can undergo hydrolysis to yield acetoacetic acid and methanol. Safety considerations include handling it in well-ventilated areas and using appropriate personal protective equipment, as it may cause irritation to the skin and eyes.

Formula: C₅H₈O₃

InChI: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3

InChI key: InChIKey=WRQNANDWMGAFTP-UHFFFAOYSA-N

SMILES: C(CC(C)=O)(OC)=O

Synonyms:

• 1-Methoxybutane-1,3-dione
• 3-Oxobutanoic acid methyl ester
• 3-Oxobutyric acid methyl ester
• Acetessigsaeure-Methylester
• Acetoacetate de methyle
• Acetoacetate methyl ester
• Acetoacetate, Methyl
• Acetoacetato De Metilo
• Acetoacetic acid methyl ester
• Butanoic acid, 3-oxo-, methyl ester:
• MAA
• Methyl 2-acetoacetate
• Methyl 3-Oxobutanoate
• Methyl 3-oxobutyrate
• Methyl acetoacetaten
• Methyl acetylacetate
• Methylacetoacetat

Methyl Acetoacetate

CAS: 105-45-3

Formula: C₅H₈O₃

Purity: >99.0%(GC)

Color and Shape: Colorless clear liquid

Molecular weight: 116.12

Ref: 3B-A0650

Methyl acetoacetate, 99%

CAS: 105-45-3

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,

Formula: C₅H₈O₃

Purity: 99%

Color and Shape: Clear colorless, Liquid

Molecular weight: 116.12

Ref: 02-A13696

Methyl acetoacetate

CAS: 105-45-3

Formula: C₅H₈O₃

Purity: 97%

Color and Shape: Liquid, Clear

Molecular weight: 116.116

Ref: 10-F094497

Methyl 3-oxobutanoate

CAS: 105-45-3

Formula: C₅H₈O₃

Purity: 99%

Color and Shape: Liquid

Molecular weight: 116.1152

Ref: IN-DA003RZ4

Methyl acetoacetate

CAS: 105-45-3

Formula: C₅H₈O₃

Purity: ≥ 99.0%

Color and Shape: Colourless liquid

Molecular weight: 116.12

Ref: 7W-GX9216

Methyl acetylacetate

CAS: 105-45-3

Methyl acetylacetate

Purity: ≥98%

Molecular weight: 116.12g/mol

Ref: 54-BUP19890

Methyl Acetoacetate

CAS: 105-45-3

Color and Shape: Neat

Ref: 86-MM0003.10

Acetoacetic acid-methyl ester

CAS: 105-45-3

Formula: C₅H₈O₃

Color and Shape: Neat

Molecular weight: 116.12

Ref: 04-C10017400

Methyl acetoacetate

CAS: 105-45-3

Methyl acetoacetate

Purity: 99%,Enol type

Color and Shape: Colourless Liquid

Molecular weight: 116.12g/mol

Ref: 54-OR54474

Methyl acetylacetate

CAS: 105-45-3

Methyl acetylacetate found in urine indicates propionyl-CoA carboxylase or 2-methylacetoacetyl-CoA thiolase deficiency.

Formula: C₅H₈O₃

Purity: 99.14%

Color and Shape: Less Liquid

Molecular weight: 116.12

Ref: TM-T4851

Methyl Acetoacetate

CAS: 105-45-3

Formula: C₅H₈O₃

Molecular weight: 116.12

Ref: 4Z-A-212001

Methyl Acetoacetate

CAS: 105-45-3

Formula: C₅H₈O₃

Ref: TR-TRC-O848425

Methyl Acetoacetate

Controlled Product

CAS: 105-45-3

Applications 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.
References Ranu, B. et al.: J. Org. Chem. 65, 6270 (2000); Lu, J. et al.: Tetrahedron Lett., 41, 9075 (2000); Lu, J. et al.: Synlett., 1, 63 (2000);

Formula: C₅H₈O₃

Color and Shape: Neat

Molecular weight: 116.12

Ref: TR-O848425

Methyl Acetoacetate pure, 98%

CAS: 105-45-3

Formula: C₅H₈O₃

Purity: min. 98%

Color and Shape: Clear, Colourless, Liquid

Molecular weight: 116.12

Ref: SR-88381

Methyl Acetoacetate extrapure AR, 99%

CAS: 105-45-3

Formula: C₅H₈O₃

Purity: min. 99%

Color and Shape: Clear, Colourless, Liquid, max. 10

Molecular weight: 116.12

Ref: SR-21392