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3,5(6)-cocoa pyrazine

Chemical Structure

General Material Information

Preferred name 3,5(6)-cocoa pyrazine
Trivial Name 2-Ethyl-3,?-dimethylpyrazine
Short Description ethyl-(3,5 or 6)-methoxypyrazine (85%) and 2-methyl-(3,5 or 6)-methoxypyrazine (13%)
Formula C16 H24 N4
CAS Number 55031-15-7
Deleted CAS Number 55031-15-7
FEMA Number 3149
Flavis Number 14.1
FDA UNII 1D80F4PE6E
MDL MFCD00047392
COE Number 727
NMR Predictor External link
JECFA Food Flavoring 789 ethyl-(3,5 or 6)-methoxypyrazine (85%) and 2-methyl-(3,5 or 6)-methoxypyrazine (13%)
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 27043-05-6 ; 2-ETHYL-3,(5 OR 6)-DIMETHYLPYRAZINE
Synonyms
  • 3,5(6)- dimethyl-2-ethyl pyrazine mixture
  • 3,(5-or 6)- dimethyl-2-ethylpyrazine
  • 3,5(6)- dimethyl-2-ethylpyrazine mixture
  • ethyl dimethyl pyrazine natural
  • ethyl-(3,5 or 6)-methoxypyrazine (85%) and 2-methyl-(3,5 or 6)-methoxypyrazine (13%)
  • ethyl-3,(5 or 6)-dimethyl pyrazine
  • ethyl-3,(5 or 6)-dimethylpyrazine
  • 2-ethyl-3,(5 or 6)-dimethylpyrazine
  • 2-ethyl-3,5-dimethylpyrazine; 3-ethyl-2,5-dimethylpyrazine
  • 2-ethyl-3,5(6)-dimethyl pyrazine
  • 2-ethyl-3,5(6)-dimethyl pyrazine mixture
  • 2-ethyl-3,5(6)-dimethylpyrazine
  • 2-ethyl-3,5(6)-dimethylpyrazine mixture
  • 2-ethyl-3,5{6}-dimethyl pyrazine
  • 2 ethyl-3(5 or 6) dimethylpyrazine
  • 2-ethyl-3(5 or 6)-dimethylpyrazine
  • 2-ethyl-3(5/6)-dimethylpyrazine
  • pyrazine, 2-ethyl-3, 5(6)-dimethyl
  • 2-ethyl-3,5-dimethylpyrazine; 3-ethyl-2,5-dimethylpyrazine
  • Pyrazine, 2-ethyl-3,?-dimethyl-
  • 2-Ethyl-3,?-dimethylpyrazine
  • 2-Ethyl-3,(5 or 6)-dimethylpyrazine
  • 2-Ethyl-3,5(6)-dimethylpyrazine

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

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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):Search
FooDB:FDB009405
Export Tariff Code:2933.99.9700
VCF-Online:VCF Volatile Compounds in Food

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 272.39529418945
Specific gravity @ 25 °C
Pounds per Gallon
Melting Point 64 to 66°C @ 8 mm Hg
Boiling Point 180 to 182°C @ 760 mm Hg
Vapor Density 4.6
Flash Point TCC Value 69.44 °C TCC
Solubility
water Yes
Stability
stable in most media Unspecified

Organoleptic Properties

Odor Type: Nutty
nutty, nut skin, hazelnut, peanut, chocolate, roasted, brown, sweet, musty, peanut roasted peanut
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity 5 hour(s) at 100.00 %
Luebke, William tgsc, (2009) At 1.00 % in dipropylene glycol. nutty nut skin hazelnut peanut chocolate roasted
Mosciano, Gerard P&F 17, No. 3, 57, (1992) Nut skin, brown, sweet, musty, with a slightly roasted peanut shell nuance
Flavor Type: Nutty
peanut, nut skin, brown, hazelnut roasted hazelnut, coffee, chocolate
Mosciano, Gerard P&F 17, No. 3, 57, (1992) At 5.00 ppm. Peanut, nut skin, brown, roasted, hazelnut, with coffee and chocolate nuances
General comment Peanut nut skin brown roasted hazelnut coffee chocolate

Occurrences

Potential Uses

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

Safety Information

Safety information

Preferred SDS: View
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 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 456 mg/kg
(Moran et al., 1980)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for 3,5(6)-cocoa pyrazine usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 38.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 9.00 (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: --
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

AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):55031-15-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16220104
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-ethyl-3,5-dimethylpyrazine; 3-ethyl-2,5-dimethylpyrazine
Chemidplus:0027043056