537365

Sigma-Aldrich

Methyl acetoacetate

ReagentPlus®, 99%

Sinônimo(s):
MAA, 3-Oxobutanoic acid methyl ester, Acetoacetic acid methyl ester
Fórmula linear:
CH3COCH2COOCH3
Número CAS:
Peso molecular:
116.12
Beilstein/REAXYS Number:
506727
Número EC:
Número MDL:
ID de substância PubChem:

Nível de qualidade

200

linha de produto

ReagentPlus®

teor

99%

temperatura de autoignição

536 °F

manufacturer/tradename

Sigma-Aldrich

índice de refração

n20/D 1.419 (lit.)

pb

169-170 °C/70 mmHg (lit.)

pf

−80 °C (lit.)

densidade

1.076 g/mL at 25 °C (lit.)

SMILES string

COC(=O)CC(C)=O

InChI

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

InChI key

WRQNANDWMGAFTP-UHFFFAOYSA-N

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Categorias relacionadas

Aplicação

Methyl acetoacetate (MAA) can be used as a reactant for:
  • Transesterification with alcohols by using various catalysts.
  • The synthesis of 4-methylcoumarins with phenol in presence of zinc and I2 as catalysts.
  • Asymmetric heterogeneous hydrogenation reactions by transition metal catalysts.

Embalagem

100 g in glass bottle
1 kg in glass bottle

Outras notas

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 537365.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Informações legais

ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Pictogramas

Exclamation mark

Palavra indicadora

Warning

Frases de perigo

Declarações de precaução

hazcat

Eye Irrit. 2

storage_class_code

10 - Combustible liquids

WGK Alemanha

WGK 1

Ponto de fulgor (ºF)

158.0 °F - closed cup

Ponto de fulgor (ºC)

70 °C - closed cup

Equipamento de proteção individual

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificado de análise

Certificado de origem

Synthesis and studies of 6, 6′ -BINAP derivatives for the heterogeneous asymmetric hydrogenation of methyl acetoacetate.
Saluzzo C, et al.
Tetrahedron Asymmetry, 13(11), 1141-1146 (2002)
Zinc mediated transesterification of ?-ketoesters and coumarin synthesis.
Chavan SP, et al.
Tetrahedron Letters, 43(47), 8583-8586 (2002)
Enantioselective hydrogenation of methyl acetoacetate catalyzed by nickel supported on activated carbon or graphite.
Wolfson A, et al.
Applied Catalysis A: General, 208(1-2), 91-98 (2001)
Synergism between microwave and enzyme catalysis in intensification of reactions and selectivities: transesterification of methyl acetoacetate with alcohols.
Yadav GD and Lathi PS
J. Mol. Catal. A: Chem., 223(1-2), 51-56 (2004)
S Aramaki et al.
Journal of inherited metabolic disease, 14(1), 63-74 (1991-01-01)
The concentrations of 2-methylacetoacetate, 2-methyl-3-hydroxybutyrate and tiglylglycine were determined by gas chromatography-mass spectrometry in urine collected before and for 8 h after loading with 100 mg of isoleucine per kg of body weight. The sum of 2-methylacetoacetate and 2-butanone, a...

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