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    General Material Information
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coffee pyrazine

Chemical Structure

General Material Information

Preferred name coffee pyrazine
Trivial Name 2-Ethyl-5-methylpyrazine
Short Description 2-methyl-5-ethylpyrazine
Formula C7 H10 N2
CAS Number 13360-64-0
FEMA Number 3154
Flavis Number 14.017
ECHA Number 236-416-6
FDA UNII W41R8X574D
Nikkaji Number J113.401I
Beilstein Number 0956719
COE Number 728
xLogP3-AA 1.00 (est)
NMR Predictor External link
JECFA Food Flavoring 770 2-methyl-5-ethylpyrazine
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 13360-64-0 ; 2-ETHYL-5-METHYLPYRAZINE
Synonyms
  • 2-ethyl-5-methyl pyrazine
  • 2-ethyl-5-methyl-1,4-diazine
  • 2-ethyl-5-methyl-pyrazine
  • 2-ethyl-5-methylpyrazine
  • 2-ethyl-5/6-methylpyrazine
  • 2-methyl-5-ethyl pyrazine
  • 2-methyl-5-ethylpyrazine
  • pyrazine, 2-ethyl-5-methyl-
  • 2-Ethyl-5-methylpyrazine
  • 2-Methyl-5-ethylpyrazine
  • 5-Methyl-2-ethylpyrazine

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

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Literature & References

2-ethyl-5-methylpyrazine
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:13360-64-0
Pubchem (cid):25915
Pubchem (sid):134989110
Flavornet:13360-64-0
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):HMDB41568
FooDB:FDB021558
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 122.17070007324
Boiling Point 79 to 80°C @ 50 mm Hg
Vapor Pressure 1.915 mmHg @ 25 °C
Flash Point TCC Value 61.67 °C TCC
logP (o/w) 1.197 est
Solubility
alcohol Yes
water, 4903 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Coffee
coffee, beany, nutty, grassy, roasted
General comment At 0.10 % in propylene glycol. coffee bean nutty grassy roasted
Flavor Type: Coffee
coffee
General comment Coffee

Occurrences

Potential Uses

Applications
Flavoring purposes Coffee, Nut
Other purposes Grass

Safety Information

Safety information

European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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 900 mg/kg
(Moran et al., 1980)

oral-rat LD50 900 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for coffee pyrazine usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 4.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 1.00 (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: -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: -2.00000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):13360-64-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :25915
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
2-ethyl-5-methylpyrazine
Chemidplus:0013360640
RTECS:UQ3335500 for cas# 13360-64-0