4-methyl-2-oxovaleric acid

4-methyl-2-oxopentanoic acid

CAS: 816-66-0 C6 H10 O3 MW: 130.14330000

Identification

Name4-methyl-2-oxovaleric acid
IUPAC4-methyl-2-oxopentanoic acid
CAS Number816-66-0
EINECS212-435-5
FDA UNII4GUJ8AH400
Molecular FormulaC6 H10 O3
Molecular Weight130.14330000
MDL NumberMFCD00066204
Nikkaji NumberJ39.557I
Beilstein1701823
CoE Number2263

Regulatory

JECFA Food Flavoring633 4-methyl-2-oxopentanoic acid
DG SANTE Food Flavourings08.052 4-methyl-2-oxovaleric acid
FEMA Number3871
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)816-66-0 ; 4-METHYL-2-OXOPENTANOIC ACID

Physical Properties

Appearance pale yellow green clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.05300 to 1.05800 @ 25.00 °C.
Pounds per Gallon - (est). 8.762 to 8.804
Refractive Index 1.43200 to 1.44200 @ 20.00 °C.
Melting Point 8.00 to 10.00 °C. @ 760.00 mm Hg
Boiling Point 251.00 °C. @ 760.00 mm Hg, 82.00 to 83.00 °C. @ 11.00 mm Hg
Vapor Pressure 0.239000 mmHg @ 25.00 °C. (est)
Flash Point 182.00 °F. TCC ( 83.33 °C. )
logP (o/w) 0.133 (est)
Shelf Life 12.00 month(s) or longer if stored properly.
Storage refrigerate in tightly sealed containers.
Soluble in water, 1.676e+005 mg/L @ 25 °C (est)

Organoleptic Properties

Odor Description fruity

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for 4-methyl-2-oxovaleric acid usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)ND (μg/capita/day)
baked goods-
beverages(nonalcoholic)0.05000
beverages(alcoholic)1.00000
breakfast cereal-
cheese1.00000
chewing gum0.50000
condiments / relishes1.00000
confectionery froastings1.00000
egg products-
fats / oils0.50000
fish products-
frozen dairy0.50000
fruit ices1.00000
gelatins / puddings0.50000
granulated sugar-
gravies1.00000
hard candy0.10000
imitation dairy0.50000
instant coffee / tea0.10000
jams / jellies1.00000
meat products-
milk products1.00000
nut products-
other grains-
poultry-
processed fruits0.10000
processed vegetables0.10000
reconstituted vegetables-
seasonings / flavors50.00000
snack foods-
soft candy0.30000
soups1.00000
sugar substitutes0.50000
sweet sauces1.00000

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Potential Uses

None Found

Natural Occurrence

asparagus banana fruit cheese PMC cocoa trigonella caerulea wine

Synonyms

a-ketoiso caproic acid alpha-ketoiso caproic acid 2-keto-4- methyl pentanoic acid 4- methyl-2-oxo-pentanoic acid 4- methyl-2-oxo-valeric acid 4- methyl-2-oxopentanoic acid 4- methyl-2-oxovalericacid 2-oxo-4- methylpentanoic acid 2-keto-4- methylvaleric acid 2-oxo-4- methylvaleric acid pentanoic acid, 4-methyl-2-oxo- iso propylpyruvic acid PubMed: Structural Analysis Reveals the Substrate-Binding Mechanism for the Expanded Substrate Specificity of Mutant meso-Diaminopimelate Dehydrogenase. PubMed: A novel test for IGT utilizing metabolite markers of glucose tolerance. PubMed: [Determination of serum carbamazepine concentration and metabonomic analysis in rats]. PubMed: Effect of amino acids on the formation of 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) in creatinine/phenylalanine and creatinine/phenylalanine/4-oxo-2-nonenal reaction mixtures. PubMed: Determination of α-keto acids in pork meat and Iberian ham via tandem mass spectrometry. PubMed: Identification of homophenylalanine biosynthetic genes from the cyanobacterium Nostoc punctiforme PCC73102 and application to its microbial production by Escherichia coli. PubMed: Atomic-resolution structure of an N5 flavin adduct in D-arginine dehydrogenase. PubMed: Xenorhabdus antibiotics: a comparative analysis and potential utility for controlling mastitis caused by bacteria. PubMed: Isotopic determination of organic keto acid pentafluorobenzyl esters in biological fluids by negative chemical ionization gas chromatography/mass spectrometry. PubMed: Quantitative analysis of intermediary metabolism in rat hepatocytes incubated in the presence and absence of ethanol with a substrate mixture including ketoleucine. PubMed: Protein synthesis and degradation in the mammary gland of lactating goats. PubMed: Determination of rates of protein synthesis, gain and degradation in intact hind-limb muscle of lambs. PubMed: Amino acid uptake in the developing chick embryo heart. The effect of insulin on glycine and leucine accumulation. PubMed: [Identification of 4-methyl-2-oxovaleric acid in the human blood].