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2-acetyl-6-methyl pyrazine

General Material Information

Preferred name	2-acetyl-6-methyl pyrazine
Trivial Name	2-Acetyl-6-methylpyrazine
Short Description	1-(6-methylpyrazin-2-yl)ethanone
Formula	C7 H8 N2 O
CAS Number	22047-26-3
FDA UNII	Search
Nikkaji Number	J624.962K
COE Number	11298
xLogP3-AA	0.20 (est)
NMR Predictor	External link
Flavis Number	14.087
Applications	flavoring agents
Synonyms	2- acetyl-6-methylpyrazine ethanone, 1-(6-methyl-2-pyrazinyl)- 1-(6- methyl-2-pyrazinyl) ethanone 1-(6- methyl-2-pyrazinyl)-1-ethanone 1-(6- methyl-2-pyrazinyl)ethanone 1-(6- methylpyrazin-2-yl)ethanone pyrazine, 2-acetyl-6-methyl- Ketone, methyl 6-methylpyrazinyl Ethanone, 1-(6-methylpyrazinyl)- 1-(6-Methyl-2-pyrazinyl)ethanone 2-Acetyl-6-methylpyrazine 2-Methyl-6-acetylpyrazine Methyl 6-methylpyrazinyl ketone 1-(6-Methylpyrazin-2-yl)ethan-1-one

Occurrences

coffee - up to 0.55 mg/kg

sesame seed roasted

Organoleptic Properties

Odor Type: Roasted
General comment	At 0.01 % in propylene glycol. roasted coffee cocoa popcorn

Potential Uses

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

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Literature & References

	1-(6-methylpyrazin-2-yl)ethanone
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	527821
Pubchem (sid):	125682123

Publications by PubMed
Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells.
Characterization of the key odorants in pan-fried white mushrooms (Agaricus bisporus L.) by means of molecular sensory science: comparison with the raw mushroom tissue.
2,3,4-Triacet-oxy-1-[5-(1,2,3,4-tetra-acetoxy-butyl)pyrazin-2-yl]butyl acetate.
Identification of potent odorants in different green tea varieties using flavor dilution technique.
Studies on the key odorants formed by roasting of wild mango seeds (Irvingia gabonensis).
Volatile flavor components of rice cakes.
Amino acids and peptides. XL. Synthesis of Ac-Tyr-Val-Ala-Asp-MCA using newly developed acetylating reagent.

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
HMDB (The Human Metabolome Database):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	136.15396118164
Boiling Point	225 to 227°C @ 760 mm Hg
Vapor Pressure	0.069 mmHg @ 25 °C
Flash Point TCC Value	95.4 °C TCC
logP (o/w)	0.447 est
Solubility
alcohol	Yes
water, 6.241e+004 mg/L @ 25 °C (est)	Yes
water	No

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:
flavoring agents
Recommendation for 2-acetyl-6-methyl pyrazine usage levels up to:
	not for fragrance use.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.028 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		270 (μg/person/day)
Threshold of Concern:		540 (μg/person/day)
Structure Class:		II

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
		average usage mg/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		0.40000	2.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		0.10000	0.50000
Edible ices, including sherbet and sorbet (03.0):		0.40000	2.00000
Processed fruit (04.1):		0.40000	2.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		-	-
Confectionery (05.0):		1.00000	5.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		0.20000	1.00000
Bakery wares (07.0):		1.00000	5.00000
Meat and meat products, including poultry and game (08.0):		0.10000	0.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		0.10000	0.40000
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		0.10000	0.50000
Foodstuffs intended for particular nutritional uses (13.0):		0.20000	1.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		0.20000	1.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		1.00000	5.00000
Ready-to-eat savouries (15.0):		1.00000	5.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		0.20000	1.00000

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

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

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Laboratory Chemical Safety Summary :527821

National Institute of Allergy and Infectious Diseases:Data

1-(6-methylpyrazin-2-yl)ethanone