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3,6-cocoa pyrazine

Chemical Structure

General Material Information

Preferred name 3,6-cocoa pyrazine
Trivial Name 3-Ethyl-2,5-dimethylpyrazine
Short Description 2,5-dimethyl-3-ethylpyrazine
Formula C8 H12 N2
CAS Number 13360-65-1
FEMA Number 3149
Flavis Number 14.111
ECHA Number 236-417-1
FDA UNII G2FB13VLOG
Nikkaji Number J121.829H
COE Number 727
NMR Predictor External link
JECFA Food Flavoring 775 2,5-dimethyl-3-ethylpyrazine
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
Synonyms
  • 3,6-cocoa pyrazine
  • 2,5-dimethyl-3-ethyl pyrazine
  • 2,5-dimethyl-3-ethylpyrazine
  • 3-ethyl-2,5-dimethyl pyrazine
  • 3-ethyl-2,5-dimethyl-pyrazine
  • 3-ethyl-2,5-dimethylpyrazine
  • 2-ethyl-3,-dimethylpyrazine
  • pyrazine, 2,5-dimethyl-3-ethyl-
  • pyrazine, 3-ethyl-2,5-dimethyl-
  • 3-Ethyl-2,5-dimethylpyrazine
  • 2,5-Dimethyl-3-ethylpyrazine
  • 2-Ethyl-3,6-dimethylpyrazine
  • 3,6-Dimethyl-2-ethylpyrazine

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

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Literature & References

3-ethyl-2,5-dimethylpyrazine
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13360-65-1
Pubchem (cid):25916
Pubchem (sid):134989111
Flavornet:13360-65-1
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.19764709473
Specific gravity @ 25 °C
Pounds per Gallon 8.604 to 8.662
Refractive Index 1.493 to 1.497 @ 20 °C
Vapor Pressure 1.212 mmHg @ 25 °C
Flash Point TCC Value 69.44 °C TCC
logP (o/w) 2.07
Solubility
alcohol Yes
water, 1473 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Nutty
potato, cocoa, roasted, nutty
General comment At 0.01 % in propylene glycol. potato cocoa roasted nutty
Flavor Type: Nutty
hazelnut, nutty
General comment Hazelnut

Occurrences

Potential Uses

Applications
Odor purposes Woody
Flavoring purposes Almond, Burnt, Caramel, Chocolate cocoa, Coffee, Hazelnut, Meat, Peanut, Popcorn, Potato, Roasted, Rum, Walnut, Whiskey
Cosmetic purposes Perfuming agents

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 3,6-cocoa pyrazine usage levels up to:
0.0100 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 2.10 (μg/capita/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
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: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: -5.00000
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: -2.00000
cheese: --
chewing gum: --
condiments / relishes: -2.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -2.00000
granulated sugar: --
gravies: -2.00000
hard candy: -5.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -2.00000
milk products: -1.00000
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):

Scientific Opinion on Flavouring Group Evaluation 17, Revision 3 (FGE.17Rev3): Pyrazine derivatives from chemical group 24
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):13360-65-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :25916
National Institute of Allergy and Infectious Diseases:Data
3-ethyl-2,5-dimethylpyrazine
Chemidplus:0013360651