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sodium 4-methyl-2-oxovalerate

Chemical Structure

General Material Information

Preferred name sodium 4-methyl-2-oxovalerate
Trivial Name Sodium α-ketoisocaproate
Short Description 4-methyl-2-oxopentanoic acid, sodium salt
Formula C6 H9 O3 Na
CAS Number 4502-00-5
FEMA Number 3871
ECHA Number 224-816-3
FDA UNII 815X976CPY
Nikkaji Number J205.882K
Beilstein Number 4239297
MDL MFCD00064193
NMR Predictor External link
JECFA Food Flavoring 633.1 4-methyl-2-oxopentanoic acid, sodium salt
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
Synonyms
  • 2-ketoiso caproic acid, sodium salt
  • 4-methyl-2-oxo-pentanoate sodium salt
  • 4-methyl-2-oxopentanoic acid sodium salt
  • 4-methyl-2-oxopentanoic acid, sodium salt
  • 4-methyl-2-oxovaleric acid sodium salt
  • oxo pentanoate, 4-methyl-2-oxo-, sodium salt
  • pentanoic acid, 4-methyl-2-oxo-, sodium salt
  • pentanoic acid, 4-methyl-2-oxo-, sodium salt (1:1)
  • sodium 4-methyl-2-ketopentanoate
  • sodium 4-methyl-2-oxopentanoate
  • sodium alpha-ketoisocaproate
  • sodiumketoisocaproate
  • valeric acid, 4-methyl-2-oxo, sodium salt
  • Valeric acid, 4-methyl-2-oxo-, sodium salt
  • Sodium α-ketoisocaproate
  • Sodium α-keto-isocaproate
  • 4-Methyl-2-oxopentanoic acid sodium salt
  • Sodium α-oxoisocaproate
  • 2-Ketoisocaproic acid sodium salt
  • Sodium 2-ketoisocaproate
  • 2-Oxo-4-methylpentanoic acid sodium salt

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2918.30.5000
ChemSpider:View
FAO:4-Methyl-2-oxopentanoic acid, sodium salt

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 152.12510681152
Boiling Point 190 to 191°C @ 760 mm Hg
Vapor Pressure 0.239 mmHg @ 25 °C
Flash Point TCC Value 83.33 °C TCC
logP (o/w) 0.17 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
water, 1.676e+005 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Buttery
buttery
Luebke, William tgsc, (2007) At 100.00 %. butyric valeric buttery

Potential Uses

Applications
Flavoring purposes Butter

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 22 - Do not breath dust.
S 24/25 - Avoid contact with skin and eyes.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for sodium 4-methyl-2-oxovalerate usage levels up to:
not for fragrance use.
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 18
Click here to view publication 18
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.050005.00000
beverages(alcoholic): 1.000005.00000
breakfast cereal: --
cheese: 1.0000010.00000
chewing gum: 0.500005.00000
condiments / relishes: 1.000005.00000
confectionery froastings: 1.000005.00000
egg products: --
fats / oils: 0.500005.00000
fish products: --
frozen dairy: 0.5000010.00000
fruit ices: 1.000005.00000
gelatins / puddings: 0.500005.00000
granulated sugar: --
gravies: 1.000005.00000
hard candy: 0.100005.00000
imitation dairy: 0.500005.00000
instant coffee / tea: 0.100001.00000
jams / jellies: 1.000005.00000
meat products: --
milk products: 1.0000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: 0.100001.00000
processed vegetables: 0.100001.00000
reconstituted vegetables: --
seasonings / flavors: 50.00000100.00000
snack foods: --
soft candy: 0.300003.00000
soups: 1.0000010.00000
sugar substitutes: 0.500005.00000
sweet sauces: 1.0000010.00000

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :4137900
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
sodium 4-methyl-2-oxopentanoate
Chemidplus:0004502005