dimethyl pyruvic acid
3-methyl-2-oxobutanoic acid

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  13-60900 3-METHYL-2-OXOBUTANOIC ACID

Name: 3-methyl-2-oxobutanoic acid CAS Number: 759-05-7 3D/inchi ECHA EINECS - REACH Pre-Reg: 212-065-4 FDA UNII: 34P71D50E0 Nikkaji Web: J39.558G Beilstein Number: 1744951 MDL: MFCD00040427 CoE Number: 2262 XlogP3-AA: 0.70 (est) Molecular Weight: 116.11636000 Formula: C5 H8 O3 BioActivity Summary: listing NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: JECFA evaluated 3-methyl-2-oxobutanoic acid (the acid and sodium salt) (CASrn as in Register). CASrn in Register refers to the acid. Category:flavoring agents   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search JECFA Food Flavoring: 631 3-methyl-2-oxobutanoic acid DG SANTE Food Flavourings: 08.051 3-methyl-2-oxobutyric acid FEMA Number: 3869 3-methyl-2-oxobutanoic acid FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 759-05-7 ; 3-METHYL-2-OXOBUTANOIC ACID   Physical Properties: Appearance: pale yellow clear liquid (est) Assay: 97.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.11500 to 1.12000 @ 25.00 °C. Pounds per Gallon - (est).: 9.278 to 9.320 Refractive Index: 1.43600 to 1.44600 @ 20.00 °C. Melting Point: 31.00 to 32.00 °C. @ 760.00 mm Hg Boiling Point: 170.00 to 171.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.732000 mmHg @ 25.00 °C. (est) Flash Point: 159.00 °F. TCC ( 70.56 °C. ) logP (o/w): -0.377 (est) Soluble in:   water, 4.968e+005 mg/L @ 25 °C (est)   Organoleptic Properties: Odor Description:fruity Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. 3-Methyl-2-oxo-butanoic Acid Matrix Scientific For experimental / research use only. 3-Methyl-2-oxobutanoic acid, 93% sds Parchem dimethyl pyruvic acid Penta International 3-METHYL-2-OXOBUTANOIC ACID Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information:   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 dimethyl pyruvic acid usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day) 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 ppm average maximum ppm baked goods: - - beverages(nonalcoholic): 0.50000 10.00000 beverages(alcoholic): 1.00000 10.00000 breakfast cereal: - - cheese: 0.80000 10.00000 chewing gum: 5.00000 10.00000 condiments / relishes: 1.00000 5.00000 confectionery froastings: 1.00000 10.00000 egg products: - - fats / oils: 0.50000 5.00000 fish products: - - frozen dairy: 1.20000 10.00000 fruit ices: 0.50000 3.00000 gelatins / puddings: 0.70000 5.00000 granulated sugar: - - gravies: 1.00000 10.00000 hard candy: 5.00000 10.00000 imitation dairy: 2.00000 10.00000 instant coffee / tea: 0.10000 1.00000 jams / jellies: 1.00000 10.00000 meat products: - - milk products: 0.50000 5.00000 nut products: - - other grains: - - poultry: - - processed fruits: 0.10000 1.00000 processed vegetables: 0.01000 1.00000 reconstituted vegetables: 0.60000 10.00000 seasonings / flavors: 50.00000 100.00000 snack foods: - - soft candy: 0.50000 5.00000 soups: 1.00000 10.00000 sugar substitutes: 0.03000 5.00000 sweet sauces: - -   Safety References: European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... European Food Safety Authority (EFSA) reference(s): Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC) View page or View pdf Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):759-05-7 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :49 National Institute of Allergy and Infectious Diseases:Data 3-methyl-2-oxobutanoic acid Chemidplus:0000759057   References:   3-methyl-2-oxobutanoic acid NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 759-05-7 Pubchem (cid): 49 Pubchem (sid): 135021569   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 FDA Substances Added to Food (formerly EAFUS): View CHEBI: View CHEMBL: View Golm Metabolome Database: Search Metabolomics Database: Search KEGG (GenomeNet): C00141 HMDB (The Human Metabolome Database): HMDB00019 FooDB: FDB012250 YMDB (Yeast Metabolome Database): YMDB00365 Export Tariff Code: 2915.60.0000 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View Wikipedia: View FAO: 3-Methyl-2-oxobutanoic acid   Potential Blenders and core components note None Found   Potential Uses: None Found   Occurrence (nature, food, other):note   banana fruit Search Trop Picture   beer Search PMC Picture   bread Search PMC Picture   cheese Search PMC Picture   cocoa Search Trop Picture   Synonyms:   butanoic acid, 3-methyl-2-oxo-   butyric acid, 3-methyl-2-oxo- 3- methyl-2-oxo-butanoic acid 3- methyl-2-oxo-butyric acid 3- methyl-2-oxobutanoic acid 3- methyl-2-oxobutinoic acid 3- methyl-2-oxobutyric acid 2-keto-3- methylbutyric acid 2-oxo-3- methylbutyric acid a-keto-b- methylbutyric acid a-oxo-b- methylbutyric acid   methyloxobutanoic acid iso propylglyoxylic acid alpha-ketoiso valerate 2-ketoiso valeric acid 2-oxoiso valeric acid a-keto-iso valeric acid a-oxoiso valeric acid alpha-ketoiso valeric acid   valine, 2-oxo-   Articles:   None found yet. 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Notes: Flavouring ingredient for use in butter-type flavours. Found in banana, bread, cheeses, asparagus, beer and cocoa Alpha-ketoisovaleric acid is a branched chain organic acid which is a precursor to leucine and valine synthesis. It is also a degradation product from valine. The enzyme dihydroxy-acid dehydratase catalyzes the fourth step in the biosynthesis of isoleucine and valine, through the dehydration of 2, 3-dihydroxy-isovaleic acid into alpha-ketoisovaleric acid.