3,3-Dimethyl-2-oxobutanoic acid
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3,3-Dimethyl-2-oxobutanoic acid
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CAS No:
815-17-8
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Formula:
C6H10O3
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Chemical Name:
3,3-Dimethyl-2-oxobutanoic acid
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Synonyms:
Butanoic acid,3,3-dimethyl-2-oxo-;Butyric acid,3,3-dimethyl-2-oxo-;Butyric acid,β,β-dimethyl-α-oxo-;3,3-Dimethyl-2-oxobutanoic acid;tert-Butylglyoxylic acid;Trimethylpyruvic acid;3,3-Dimethyl-2-oxobutyric acid;2-Oxo-3,3-dimethylbutanoic acid;Trimethylpyroracemic acid;NSC 16648
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CAS No:
3,3-Dimethyl-2-oxobutanoic acid Basic Attributes
130.14
130.14
212-418-2
29CL615CLH
16648
DTXSID9027314
2918300090
Safety Information
Ⅲ
8
3261
36/37/38-34
26-37/39-45-36/37/39
C
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 50 companies from 7 notifications to the ECHA C&L Inventory.
3,3-Dimethyl-2-oxobutanoic acid Use and Manufacturing
The preparation method is to add dichloropinacol into the reaction kettle, then add water and a certain amount of lye, and heat and hydrolyze in a dilute aqueous alkali solution to generate sodium 3, 3-dimethyl-2-hydroxybutyrate, and then add dropwise Sodium hypochlorite solution is oxidized at low temperature and in the presence of a catalyst, and 2-hydroxyl is oxidized to 2-oxygen. After the oxidation is completed, the catalyst is filtered off. The resulting filtrate is sodium 3, 3-dimethylbutyrate, which is further acidified to obtain the finished product .
3,3-Dimethylbutanone acid is an intermediate of the herbicide oxadiazon.
Butanoic acid, 3,3-dimethyl-2-oxo-: ACTIVE
Computed Properties
Molecular Weight:130.14
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:130.062994177
Monoisotopic Mass:130.062994177
Topological Polar Surface Area:54.4
Heavy Atom Count:9
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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