ChemicalBook > CAS DataBase List > 3-METHYL-2-OXOVALERIC ACID

3-METHYL-2-OXOVALERIC ACID

Product Name
3-METHYL-2-OXOVALERIC ACID
CAS No.
1460-34-0
Chemical Name
3-METHYL-2-OXOVALERIC ACID
Synonyms
3-METHYL-2-OXOPENTANOIC ACID;2-KETO-3-METHYLVALERIC ACID;α-Keto-β-methylvaleric acid;3-METHYL-2-OXOVALERIC;METHYLETHYLPYRUVIC ACID;3-methyl-2-oxovalericaci;3-METHYL-2-OXOVALERIC ACID;2-Oxo-3-methylvaleric acid;α-Keto-3-methylvaleric acid;3-Methyl-2-oxovalericAcid>
CBNumber
CB2218546
Molecular Formula
C6H10O3
Formula Weight
130.14
MOL File
1460-34-0.mol
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3-METHYL-2-OXOVALERIC ACID Property

Melting point:
42°C
Boiling point:
84 °C / 18mmHg
Density 
1.087±0.06 g/cm3(Predicted)
FEMA 
3870 | 3-METHYL-2-OXOPENTANOIC ACID
storage temp. 
Refrigerator
solubility 
DMSO : 130 mg/mL (998.92 mM)
pka
2.65±0.54(Predicted)
form 
powder to crystal
color 
White to Light yellow
JECFA Number
632
InChIKey
JVQYSWDUAOAHFM-UHFFFAOYSA-N
LogP
0.17
CAS DataBase Reference
1460-34-0(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38-36
Safety Statements 
26-36/37/39-36
HS Code 
2918300090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
CDS000039
Product name
3-Methyl-2-oxopentanoic acid
Purity
AldrichCPR
Packaging
50MG
Price
$66.1
Updated
2025/07/31
TCI Chemical
Product number
K0020
Product name
3-Methyl-2-oxovaleric Acid
Purity
>95.0%(GC)(T)
Packaging
1g
Price
$200
Updated
2025/07/31
TCI Chemical
Product number
K0020
Product name
3-Methyl-2-oxovaleric Acid
Purity
>95.0%(GC)(T)
Packaging
5g
Price
$594
Updated
2025/07/31
American Custom Chemicals Corporation
Product number
CHM0023771
Product name
3-METHYL-2-OXOPENTANOIC ACID
Purity
95.00%
Packaging
5G
Price
$970.2
Updated
2021/12/16
ChemScene
Product number
CS-0059473
Product name
3-Methyl-2-oxovaleric Acid
Purity
99.81%
Packaging
100mg
Price
$80
Updated
2021/12/16
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3-METHYL-2-OXOVALERIC ACID Chemical Properties,Usage,Production

Uses

3-Methyl-2-oxovaleric acid is a degradation product from Isoleucine. 3-Methyl-2-oxovaleric acid is a biomarker of mustard airway diseases (MADs) and uric acid stone[1][2].

Definition

ChEBI: A 2-oxo monocarboxylic acid that is valeric acid carrying oxo- and methyl substituents at C-2 and C-3, respectively. An alpha-keto acid analogue and metabolite of isoleucine in man, animals and bacteria. Used as a clinical marker for maple syrup urine disease (MSUD).

Synthesis Reference(s)

The Journal of Organic Chemistry, 39, p. 600, 1974 DOI: 10.1021/jo00919a004

in vivo

In uric acid stone urinary environment, the levels of 3-Methyl-2-oxovaleric acid is elevated [2].

IC 50

Human Endogenous Metabolite

References

[1] Ghoochani BFNM, et, al. Metabolomics diagnostic approach to mustard airway diseases: a preliminary study. Iran J Basic Med Sci. 2018 Jan;21(1):59-69. DOI:10.22038/IJBMS.2017.23792.5982
[2] Xu S, et al. Self-control study of multi-omics in identification of microenvironment characteristics in urine of uric acid stone. Sci Rep. 2024 Oct 24;14(1):25165. DOI:10.1038/s41598-024-76054-0

3-METHYL-2-OXOVALERIC ACID Preparation Products And Raw materials

Raw materials

Preparation Products

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3-METHYL-2-OXOVALERIC ACID Suppliers

J & K SCIENTIFIC LTD.
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