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General Material Information

Preferred name isoamyl pyruvate
Trivial Name Isoamyl pyruvate
Short Description isopentyl pyruvate
Formula C8 H14 O3
CAS Number 7779-72-8
FEMA Number 2083
Flavis Number 9.443
ECHA Number 231-934-9
FDA UNII FZ347HUW87
Nikkaji Number J326.565J
MDL MFCD00238527
COE Number 431
xLogP3-AA 1.70 (est)
NMR Predictor External link
JECFA Food Flavoring 939 isoamyl pyruvate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7779-72-8 ; ISOAMYL PYRUVATE
Synonyms
  • iso amyl pyroracemate
  • 3-methyl butyl 2-oxopropanoate
  • 3-methylbutyl 2-oxopropanoate
  • iso pentyl pyruvate
  • 2-oxo- propanoic acid 3-methyl butyl ester
  • propanoic acid, 2-oxo-, 3-methylbutyl ester
  • pyruvic acid isopentyl ester
  • pyruvic acid, isopentyl ester
  • 3-methylbutyl 2-oxopropanoate
  • Isopentyl alcohol, pyruvate

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

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Perfumer & Flavorists Start search
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PubMeb Start search
NCBI Start search

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
HMDB (The Human Metabolome Database):HMDB38305
FooDB:FDB017634
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 158.19717407227
Specific gravity @ 25 °C
Pounds per Gallon 8.088 to 8.155
Refractive Index 1.417 to 1.424 @ 20 °C
Acid Value 2 max KOH/g
Vapor Pressure 0.253 mmHg @ 25 °C
Flash Point TCC Value 76.11 °C TCC
logP (o/w) 1.458 est
Solubility
alcohol Yes
water, 1.111e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Balsamic
caramellic, balsamic, rummy, arrack, fruity
General comment At 100.00 %. caramellic balsamic rummy arrack fruity

Potential Uses

Applications
Odor purposes Balsam, Saffron
Flavoring purposes Arrack

Safety Information

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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for isoamyl pyruvate usage levels up to:
1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 17.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.00 (μg/capita/day)
Structure Class: I
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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -12.00000
beverages(nonalcoholic): -4.70000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -8.10000
fruit ices: -8.10000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -9.20000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
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):

Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to 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 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf

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 :537682
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3-methylbutyl 2-oxopropanoate
Chemidplus:0007779728