10913

Methyl acetoacetate

Wacker Chemie AG, ≥99.0% (GC)

• Synonim(y): ACM, 3-Oxobutanoic acid methyl ester, Acetoacetic acid methyl ester
• Wzór liniowy: CH₃COCH₂COOCH₃
• Numer CAS: 105-45-3
• Masa cząsteczkowa: 116.12
• EC Number: 203-299-8
• UNSPSC Code: 12352100
• PubChem Substance ID: 57646849
• Beilstein/REAXYS Number: 506727
• MDL number: MFCD00008784
• Assay: ≥99.0% (GC)

Właściwości

• assay: ≥99.0% (GC)
• autoignition temp.: 536 °F
• manufacturer/tradename: Wacker Chemie AG
• refractive index: n20/D 1.419 (lit.)
• bp: 169-170 °C/70 mmHg (lit.)
• mp: −80 °C (lit.)
• solubility: H₂O: soluble 2 parts, alcohol: miscible, diethyl ether: miscible
• density: 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

Opis

General description

Methyl acetoacetate undergoes asymmetric hydrogenation to form (R)-(-)-methyl-3-hydroxybutyrate in the presence of enantioselective Ni/SiO₂ catalysts. It undergoes Pechmann reactions with phenols in various ionic liquids.

Application

Methyl acetoacetate was used in development of a simple and cost effective method for monitoring of trace formaldehyde in air. It was used to study the substrate specificity of NADPH-dependent diacetyl reductase in Escherichia coli.

Other Notes

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Informacja o środkach bezpieczeństwa

• Piktogramy: GHS05
• Słowo ostrzegawcze: Danger
• Kody zagrożeń: H318
• Ostrzeżenia: P280 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1
• Klasa składowania: 10 - Combustible liquids
• WGK: WGK 1
• Temperatura zapłonu (°F): 158.0 °F - closed cup
• Temperatura zapłonu (°C): 70 °C - closed cup
• PPE (środki ochrony indywidualnej): Eyeshields, Gloves, type ABEK (EN14387) respirator filter