EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

dimethyl pyruvic acid
3-methyl-2-oxobutanoic acid

Supplier Sponsors

Name:3-methyl-2-oxobutanoic acid
CAS Number: 759-05-7Picture of molecule3D/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 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
FLAVIS Number:08.051 (Old)
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%
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
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.5000010.00000
beverages(alcoholic): 1.0000010.00000
breakfast cereal: --
cheese: 0.8000010.00000
chewing gum: 5.0000010.00000
condiments / relishes: 1.000005.00000
confectionery froastings: 1.0000010.00000
egg products: --
fats / oils: 0.500005.00000
fish products: --
frozen dairy: 1.2000010.00000
fruit ices: 0.500003.00000
gelatins / puddings: 0.700005.00000
granulated sugar: --
gravies: 1.0000010.00000
hard candy: 5.0000010.00000
imitation dairy: 2.0000010.00000
instant coffee / tea: 0.100001.00000
jams / jellies: 1.0000010.00000
meat products: --
milk products: 0.500005.00000
nut products: --
other grains: --
poultry: --
processed fruits: 0.100001.00000
processed vegetables: 0.010001.00000
reconstituted vegetables: 0.6000010.00000
seasonings / flavors: 50.00000100.00000
snack foods: --
soft candy: 0.500005.00000
soups: 1.0000010.00000
sugar substitutes: 0.030005.00000
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
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity: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 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
RSC Learn Chemistry: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
isopropylglyoxylic acid
alpha-ketoisovalerate
2-ketoisovaleric acid
2-oxoisovaleric acid
a-keto-isovaleric acid
a-oxoisovaleric acid
alpha-ketoisovaleric acid
 valine, 2-oxo-
 
 
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.
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy