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3,5-cocoa pyrazine

Chemical Structure

General Material Information

Preferred name 3,5-cocoa pyrazine
Trivial Name 2-Ethyl-3,5-dimethylpyrazine
Short Description 2-ethyl-3,5-dimethylpyrazine
Formula C8 H12 N2
CAS Number 13925-07-0
FEMA Number 3150
Flavis Number 14.024
ECHA Number 237-694-1
FDA UNII R182EY5L8C
Nikkaji Number J113.400K
Beilstein Number 0636984
COE Number 727
NMR Predictor External link
JECFA Food Flavoring 776 2-ethyl-3,5-dimethylpyrazine
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 13925-07-0 ; 3-ETHYL-2,6-DIMETHYLPYRAZINE
Synonyms
  • 3,5-cocoa pyrazine
  • 3,5-dimethyl-2-ethylpyrazine
  • 2,6-dimethyl-3-ethyl pyrazine
  • 2,6-dimethyl-3-ethylpyrazine
  • 3-ethyl-2,6-dimethyl pyrazine
  • 3-ethyl-2,6-dimethylpyrazine
  • 2-ethyl-3,5-dimethyl pyrazine
  • 2-ethyl-3,5-dimethyl-pyrazine
  • 2-ethyl-3,5-dimethylpyrazine
  • pyrazine, 2-ethyl-3,5-dimethyl-
  • pyrazine, 2,6-dimethyl-3-ethyl-
  • pyrazine, 3,5-dimethyl-2-ethyl-
  • 2-Ethyl-3,5-dimethylpyrazine
  • 2,6-Dimethyl-3-ethylpyrazine
  • 3,5-Dimethyl-2-ethylpyrazine
  • 3-Ethyl-2,6-dimethylpyrazine

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

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Literature & References

2-ethyl-3,5-dimethylpyrazine
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13925-07-0
Pubchem (cid):26334
Pubchem (sid):134990417
Flavornet:13925-07-0
Pherobase:View
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40299
FooDB:FDB020021
YMDB (Yeast Metabolome Database):YMDB01441
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.19764709473
Boiling Point 180 to 182°C @ 760 mm Hg
Vapor Pressure 0.814 mmHg @ 25 °C
Flash Point TCC Value 68.89 °C TCC
logP (o/w) 1.457 est
Solubility
alcohol Yes
water Yes
water, 1473 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Nutty
burnt, almond, roasted, nutty, coffee, peanut, caramellic, musty, cocoa
General comment At 0.10 % in dipropylene glycol. burnt almonds roasted nuts coffee
Mosciano, Gerard P&F 22, No. 5, 67, (1997) Peanut, nutty, caramel, coffee, musty, cocoa, pyrazine and roasted
Flavor Type: Nutty
sweet, nutty, caramellic, coffee, corn, cocoa, potato
Mosciano, Gerard P&F 22, No. 5, 67, (1997) At 2.00 ppm. Sweet, nutty, caramellic, coffee, corn, cocoa and potato

Occurrences

Potential Uses

Applications
Odor purposes Almond, Coffee, Peanut, Saffron, Tobacco
Flavoring purposes Bread, Burnt, Chicory root, Chocolate cocoa, Meat, Nut, Potato
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:
gavage-rat LD50 [sex: M,F] 504 mg/kg
(Posternak et al., 1975)

oral-rat LD50 456 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

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 3,5-cocoa pyrazine usage levels up to:
0.1000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.30 (μg/capita/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: --
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: -5.00000
granulated sugar: --
gravies: --
hard candy: -5.00000
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):

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 17 (FGE.17): Pyrazine derivatives from chemical group 24 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 50 (FGE.50): Consideration of pyrazine derivatives evaluated by JECFA (57th meeting) structurally related to pyrazine derivatives evaluated by EFSA in FGE.17 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 17, Revision 1 (FGE.17Rev1): Pyrazine derivatives from chemical group 24 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) [1]
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 17, Revision 2 (FGE.17Rev2): Pyrazine derivatives from chemical group 24
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 50, Revision 1 (FGE.50Rev1): Consideration of pyrazine derivatives evaluated by JECFA (57th meeting) structurally related to pyrazine derivatives evaluated by EFSA in FGE.17Rev2 (2010)
View page or View pdf

Safety and efficacy of pyrazine derivatives including saturated ones belonging to chemical group 24 when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):13925-07-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :26334
National Institute of Allergy and Infectious Diseases:Data
2-ethyl-3,5-dimethylpyrazine
Chemidplus:0013925070