Ethyl 2-methylacetoacetate
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Ethyl 2-methylacetoacetate
structure -
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CAS No:
609-14-3
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Formula:
C7H12O3
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Chemical Name:
Ethyl 2-methylacetoacetate
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Synonyms:
Butanoic acid,2-methyl-3-oxo-,ethyl ester;Acetoacetic acid,2-methyl-,ethyl ester;Acetoacetic acid,α-methyl-,ethyl ester;Ethyl 2-methylacetoacetate;Ethyl α-methylacetylacetate;2-Methylacetoacetic acid ethyl ester;Ethyl α-methylacetoacetate;Ethyl 2-methyl-3-oxobutyrate;Ethyl α-acetylpropionate;α-Methylacetoacetic ester;Ethyl 2-methyl-3-oxobutanoate;Ethyl 2-acetylpropionate;Ethyl methylacetoacetate;Ethyl (±)-2-methylacetoacetate;Ethyl 2-acetylpropanoate;2-Methyl-3-oxobutanoic acid ethyl ester;NSC 1102;2-Methyl-3-oxobutyric acid ethyl ester;Ethyl 3-oxo-2-methylbutanoate;64854-05-3
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CAS No:
Ethyl 2-methylacetoacetate Basic Attributes
144.17
144.17
1071742
210-179-9
1102
DTXSID2033493
29182300
Characteristics
43.4
0.9
Clear colorless to yellow Liquid
1.00150 g/cm3 @ Temp: 420 °C
235-236 °C
187 °C
145 °F
1.417-1.419
H2O: IMMISCIBLE
-20°C Freezer
Safety Information
1993
3
24/25
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (66.67%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl 2-methylacetoacetate Use and Manufacturing
α-Methyl acetoacetate is prepared by reacting ethyl acetoacetate with dimethyl sulfate. Add xylene, ethyl acetoacetate, dimethyl sulfate and phase transfer catalyst in advance to the glass-lined reactor, stir, slowly add sodium hydroxide solution, control the reaction temperature not to exceed 40 ℃, continue to stir for 1.5 hours after the addition, Control pH=8-9, then stand still for 1 hour, separate the water layer, add water to wash until the aqueous solution is neutral, stand still, separate the water layer (send the three wastes for treatment), the xylene solution is dehydrated under reduced pressure and concentrated to contain lactate When the content of ethyl acetoacetate is 35%-40%, the concentration can be stopped to obtain ethyl lactate methyl acetoacetate xylene solution, and then the product can be obtained by desolventizing. α-Methyl acetoacetate can also be prepared from ethyl acetoacetate, potassium carbonate and methyl iodide in a solid-liquid phase hydrocarbonification reaction under certain conditions.
Used as intermediate for medicine and pesticide
Butanoic acid, 2-methyl-3-oxo-, ethyl ester: ACTIVE
Computed Properties
Molecular Weight:144.17
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:144.078644241
Monoisotopic Mass:144.078644241
Topological Polar Surface Area:43.4
Heavy Atom Count:10
Complexity:140
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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