3-METHYL-2-OXOVALERIC ACID Chemical Properties

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)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38-36

Safety Statements 

26-36/37/39-36

HS Code 

2918300090

3-METHYL-2-OXOVALERIC ACID Usage And Synthesis

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

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

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