4-Methyl-2-oxovaleric acid CAS#: 816-66-0

4-Methyl-2-oxovaleric acid Basic information

Product Name:

4-Methyl-2-oxovaleric acid

Synonyms:

ALPHA-KETOISOCAPROIC ACID
4-METHYL-2-OXOPENTANOIC ACID
4-METHYL-2-OXOVALERIC ACID
4-Methyl-2-oxovaleric acid >=98.0% (T)
Methyl-2-oxovaleric
KETOLEUCINE
2-KETO-ISO-CAPROIC ACID
2-keto-isocaproate

CAS:

816-66-0

MF:

C6H10O3

MW:

130.14

EINECS:

212-435-5

Mol File:

816-66-0.mol

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4-Methyl-2-oxovaleric acid Chemical Properties

Melting point:: 8-10 °C
Boiling point:: 82-83 °C11 mm Hg(lit.)
Density: 1.055 g/mL at 20 °C(lit.)
refractive index: n20/D 1.431
FEMA: 3871 | 4-METHYL-2-OXOPENTANOIC ACID
storage temp.: 2-8°C
solubility: DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml
pka: 2.65±0.54(Predicted)
form: clear liquid
color: Colorless to Yellow
Odor: fruity
Odor Type: fruity
Water Solubility: Soluble in water.
JECFA Number: 633
BRN: 1701823
LogP: 0.17
CAS DataBase Reference: 816-66-0(CAS DataBase Reference)
NIST Chemistry Reference: 4-Methyl-2-oxovaleric acid(816-66-0)
EPA Substance Registry System: .alpha.-Ketoisocaproic acid (816-66-0)

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Safety Information

Hazard Codes: C
Risk Statements: 34
Safety Statements: 26-36/37/39-45
RIDADR: UN 3265 8/PG 3
WGK Germany: 3
F: 3-9-13
TSCA: Yes
HS Code: 2918.30.9000
HazardClass: 8
PackingGroup: III

MSDS

Language:English Provider:SigmaAldrich

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4-Methyl-2-oxovaleric acid Usage And Synthesis

Occurrence

Reported found in banana, asparagus, cheese, white wine, cocoa, blue cheese and provolone cheese.

Uses

4-Methyl-2-oxovaleric acid is an intermediate in the metabolism of leucine and also used as flavoring agents.

Definition

ChEBI: A 2-oxo monocarboxylic acid that is pentanoic acid (valeric acid) substituted with a keto group at C-2 and a methyl group at C-4. A metabolite that has been found to accumulate in maple syrup urine disease.

in vivo

4-Methyl-2-oxopentanoic acid (4 mol/L; ICV; 1 h and 15 d) causes impairment of habitual memory and long-term memory in rats^[3]. 4-Methyl-2-oxopentanoic acid (400 μmol/kg/h; carotid arch injection; single dose injection 60 min) increases porcine skeletal muscle protein synthesis and plasma leucine levels^[4].

Animal Model:	Thirty-day-old rats were anesthetized with a mixture of ketamine and xylazine (HY-B0443)^[3]
Dosage:	4 mol/L, Administer 2 μL
Administration:	Intracerebroventricular injection (ICV); 1 h and 15 days
Result:	Increased TBARS levels, protein carbonyl content and DNA damage in the hippocampus, striatum and cerebral cortex. SOD activity in the hippocampus and striatum increased 1 hour after injection, and SOD activity in the striatum decreased 15 days later.

Animal Model:	Piglets were deprived of feed for 12-14 hours before infusion^[4]
Dosage:	400 μmol/kg
Administration:	Inject into the aortic arch; the initial injection dose is 148 μmol/kg in the first 10 minutes, and the continuous infusion dose is 400 μmol/kg
Result:	Increased phosphorylation of eukaryotic initiation factor (eIF) 4E binding protein-1 (4E-BP1) and eIF4G in skeletal muscle and increased the formation of active eIF4G×eIF4E complexes.

IC 50

Human Endogenous Metabolite

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