Lot numbers can be found on the outside label of a product:
Methyl acetylacetate
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CAS No. 105-45-3
- Cat. No. CS-0017265
- Purity≥97%
- MDL No.MFCD00008784
*For research and further manufacturing use only, not for direct human use.
Structure of 105-45-3
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General Information
- CAS No. 105-45-3
- Cat. No. CS-0017265
- Purity ≥97%
- MDL No. MFCD00008784
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₈O₃
- Molecular Weight 116.12
- Synonym(s) Acetoacetate methyl ester; Methyl 3-oxobutanoate; Methyl acetoacetate
- SMILES CC(CC(OC)=O)=O
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.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.
Synthesis
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Route1
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674-82-8 -
67-56-1
- ~71%
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In-stock
105-45-3
References
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Jarowicki, Krzysztof; Kwitakowski, Stefan Monatshefte fuer Chemie, 1985 , vol. 116, p. 141 - 144
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Route2
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67-56-1
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In-stock
1694-31-1 - ~88%
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In-stock
105-45-3
References
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Baumhof, Patrick; Mazitschek, Ralph; Giannis, Athanassios Angewandte Chemie - International Edition, 2001 , vol. 40, # 19 p. 3672 - 3674
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Route3
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623-43-8
- ~73%
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In-stock
105-45-3
References
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Mitsudome, Takato; Yoshida, Syuhei; Mizugaki, Tomoo; Jitsukawa, Koichiro; Kaneda, Kiyotomi Angewandte Chemie - International Edition, 2013 , vol. 52, # 23 p. 5961 - 5964 Angew. Chem., 2013 , vol. 125, # 23 p. 6077 - 6080,4
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H319
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Precautionary Statements : P264-P280-P305+P351+P338-P337+P313
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Quality Control
Computational Chemistry Data
- TPSA 43.37
- LogP 0.1385
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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