3-Methyl-2-oxobutanoic acid
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3-Methyl-2-oxobutanoic acid
structure -
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CAS No:
759-05-7
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Formula:
C5H8O3
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Chemical Name:
3-Methyl-2-oxobutanoic acid
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Synonyms:
Butanoic acid,3-methyl-2-oxo-;Butyric acid,3-methyl-2-oxo-;3-Methyl-2-oxobutanoic acid;α-Ketoisovaleric acid;2-Ketoisovaleric acid;α-Oxoisovaleric acid;2-Oxoisovaleric acid;Dimethylpyruvic acid;α-Oxo-β-methylbutyric acid;2-Oxo-3-methylbutanoic acid;2-Oxo-3-methylbutyric acid;α-keto-β-Methylbutyric acid;α-keto-Isovaleric acid;3-Methyl-2-oxobutyric acid;Ketovaline;3-Methyl-2-oxobutyrate;Isopropylglyoxylic acid;2-keto-3-Methylbutyric acid;2-keto-Isovaleric acid
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CAS No:
Description
3-Methyl-2-oxobutanoic acid is a precursor of pantothenic acid in Escherichia coli.
Solid|Pale yellow liquid; fruity aroma
3-methyl-2-oxobutanoic acid is a 2-oxo monocarboxylic acid that is the 2-oxo derivative of isovaleric acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It derives from a butyric acid. It is a conjugate acid of a 3-methyl-2-oxobutanoate. It is a tautomer of a 2-hydroxy-3-methyl-2-butenoic acid.
3-Methyl-2-oxobutanoic acid Basic Attributes
116.115
116.12
212-065-4
34P71D50E0
DTXSID6061078
2918300090
Characteristics
54.37000
-0.36
Solid
1.1±0.1 g/cm3
31.5 °C
170.5 °C
71.0±15.2 °C
1.432
400.6g/L(20 ºC)
Safety Information
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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Methyl-2-oxobutanoic acid Use and Manufacturing
Butanoic acid, 3-methyl-2-oxo-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Flavoring Agents
Computed Properties
Molecular Weight:116.11
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:116.047344113
Monoisotopic Mass:116.047344113
Topological Polar Surface Area:54.4
Heavy Atom Count:8
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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