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2-acetyl-3-methyl pyrazine

Chemical Structure

General Material Information

Preferred name 2-acetyl-3-methyl pyrazine
Trivial Name 2-Acetyl-3-methylpyrazine
Short Description 2-acetyl-3-methylpyrazine
Formula C7 H8 N2 O
CAS Number 23787-80-6
FEMA Number 3964
Flavis Number 14.082
ECHA Number 245-889-8
FDA UNII 7U5TEW2Y2B
Nikkaji Number J364.475H
MDL MFCD00014612
COE Number 11296
xLogP3-AA 0.20 (est)
NMR Predictor External link
JECFA Food Flavoring 950 2-acetyl-3-methylpyrazine
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 23787-80-6 ; 2-ACETYL-3-METHYLPYRAZINE
Synonyms
  • 2-acetyl-3-methylpyrazine
  • 2 acetyl-3-methylpyrazine
  • 2-acetyl-3-methylpyrazine >98.0%(GC)
  • 2-acetyl-3-methylpyrazine 98%
  • ethanone, 1-(3-methyl-2-pyrazinyl)-
  • 1-ethanone, 1-(3-methyl-2-pyrazinyl)-
  • ethanone, 1-(3-methylpyrazinyl)-
  • 1-(3-methyl pyrazinyl) ethan-1-one
  • 1-(3-methyl pyrazinyl) ethanone
  • 2-methyl-3-acetyl pyrazine
  • 2-methyl-3-acetylpyrazine
  • 1-(3-methylpyrazin-2-yl)ethan-1-one
  • 1-(3-methylpyrazin-2-yl)ethanone
  • 1-(3-methylpyrazinyl)ethan-1-one
  • pyrazine, 2-acetyl-3-methyl-
  • 1-(3-methylpyrazin-2-yl)ethanone
  • Ketone, methyl 3-methylpyrazinyl
  • 1-(3-Methyl-2-pyrazinyl)ethanone
  • 2-Acetyl-3-methylpyrazine
  • 3-Acetyl-2-methylpyrazine
  • 1-(3-Methylpyrazin-2-yl)ethan-1-one

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):HMDB30001
FooDB:FDB001290
Export Tariff Code:2933.99.8290
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 136.15396118164
Specific gravity @ 25 °C
Pounds per Gallon 9.27 to 9.303
Specific gravity @ 25 °C
Pounds per Gallon 9.195 to 9.27
Refractive Index 1.52 to 1.524 @ 20 °C
Refractive Index 1.521 to 1.523 @ 20 °C
Boiling Point 265 to 266°C @ 760 mm Hg
Vapor Pressure 0.105 mmHg @ 25 °C
Flash Point TCC Value 80 °C TCC
logP (o/w) -0.484 est
Solubility
alcohol Yes
water, 6.241e+004 mg/L @ 25 °C (est) Yes
water No
Stability
stable in most media Unspecified

Organoleptic Properties

Odor Type: Nutty
nutty, nut flesh, hazelnut roasted hazelnut, grain toasted grain, corn chip, vegetable, nut skin, caramellic
Odor strength high , recommend smelling in a 0.10 % solution or less
Substantivity 25 hour(s) at 100.00 %
Luebke, William tgsc, (2017) At 0.10 % in dipropylene glycol. nutty nut flesh roasted hazelnut toasted grain corn chip vegetable nut skin caramellic
Flavor Type: Nutty
nutty, nut flesh, hazelnut roasted hazelnut, grain toasted grain, potato chip, potato baked potato, nut skin, vegetable
Luebke, William tgsc, (2017) Nutty nut flesh roasted hazelnut toasted grain potato chip baked potato nut skin vegetable
Used in soups and sauces at 20ppm, confectionery at 5ppm, meat products at 2ppm, snack foods at 0.25ppm, and desserts at 0.1ppm. Nutty

Occurrences

Potential Uses

Applications
Odor purposes Coffee, Filbert, Hazelnut, Peanut, Popcorn
Flavoring purposes Caramel, Cereal, Chocolate cocoa, Grain, Meat, Nut roasted nut, Sesame, Shellfish, Walnut

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2-acetyl-3-methyl pyrazine usage levels up to:
0.1000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (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: 20
Click here to view publication 20
average usual ppmaverage maximum ppm
baked goods: 1.300004.30000
beverages(nonalcoholic): 0.300000.60000
beverages(alcoholic): 0.300003.00000
breakfast cereal: 0.100002.00000
cheese: --
chewing gum: 0.800008.00000
condiments / relishes: --
confectionery froastings: 0.300003.00000
egg products: 0.300003.00000
fats / oils: 0.300003.00000
fish products: 0.100003.00000
frozen dairy: 1.000005.00000
fruit ices: 0.200002.00000
gelatins / puddings: 0.200002.00000
granulated sugar: --
gravies: 0.300003.00000
hard candy: 0.500005.00000
imitation dairy: --
instant coffee / tea: 0.100001.00000
jams / jellies: 0.500005.00000
meat products: 1.300005.00000
milk products: 0.300003.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.500005.00000
snack foods: 0.500005.00000
soft candy: 1.000004.00000
soups: 1.000002.50000
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):23787-80-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :32093
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-(3-methylpyrazin-2-yl)ethanone
Chemidplus:0023787806