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HomeProduct name list3-METHYL-2-OXOVALERIC ACID

3-METHYL-2-OXOVALERIC ACID

  • CAS NO.:1460-34-0
  • Empirical Formula: C6H10O3
  • Molecular Weight: 130.14
  • MDL number: MFCD00002582
  • EINECS: 215-955-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-11-19 23:02:33
3-METHYL-2-OXOVALERIC ACID Structural

What is 3-METHYL-2-OXOVALERIC ACID?

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

Properties of 3-METHYL-2-OXOVALERIC ACID

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
CAS DataBase Reference 1460-34-0(CAS DataBase Reference)

Safety information for 3-METHYL-2-OXOVALERIC ACID

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

Computed Descriptors for 3-METHYL-2-OXOVALERIC ACID

InChIKey JVQYSWDUAOAHFM-UHFFFAOYSA-N

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