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2-methyl thio-3,5 or 6-methyl pyrazine

Chemical Structure

General Material Information

Preferred name 2-methyl thio-3,5 or 6-methyl pyrazine
Trivial Name Methyl(methylthio)pyrazine
Short Description (3, 5 or 6)-methylthio-2-methylpyrazine
Formula C6 H8 N2 S
CAS Number 67952-65-2
FEMA Number 3208
Flavis Number 14.035
ECHA Number 267-918-3
FDA UNII Search
Nikkaji Number J113.403E
Beilstein Number 0774815
MDL MFCD00053111
COE Number 2290
xLogP3-AA 0.30 (est)
NMR Predictor External link
JECFA Food Flavoring 797 (3, 5 or 6)-methylthio-2-methylpyrazine
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 67952-65-2 ; 2-METHYL-(3 OR 5 OR 6)-(METHYLTHIO)PYRAZINE (MIXTURE OF ISOMERS)
Synonyms
  • methyl 2-thio 3-methyl pyrazine
  • methyl 3,5 or 6-methyl thiopyrazine
  • methyl 3,5 or 6-methylthiopyrazine
  • 2-methyl thio-3 (5,6) methyl pyrazine
  • 3(5 or 6)-( methyl thio)-2-methyl pyrazine
  • ( methyl thio)-3,5 or 6-methyl pyrazine
  • 2-( methyl thio)-3(5 or 6)methyl pyrazine
  • 2-methyl-3-methylsulfanylpyrazine
  • 2-methyl-3,(5 or 6)-methyl thiopyrazine
  • 2-methyl-3,(5 or 6)-methylthiopyrazine
  • methyl-3,5 or 6-(methyl thio) pyrazine
  • methyl-3,5 or 6-(methylthio)pyrazine
  • 2-methyl-3,5 or 6-methylthiopyrazine
  • 2-methyllhio-(3or5)-methyl pyrazine
  • 2-[( methylsulfanyl)methyl]pyrazine
  • (3, 5 or 6)- methylthio-2-methylpyrazine
  • 2-methylthio-3 (5/6) -methyl pyrazine
  • 2-methylthio-3(5/6) methyl pyrazine
  • 2-methylthio-3(5/6)-methyl pyrazine
  • 2-methylthio-3(5/6)-methylpyrazine
  • 2-methylthio-3(6)methyl pyrazine
  • 2 methylthio-3(or 5)-methylpyrazine
  • 3(5 or 6)-( methylthio)-2-methylpyrazine
  • ( methylthio)-3,5 or 6-methylpyrazine
  • 2-( methylthio)-3(5 or 6)methylpyrazine
  • (( methylthio)methyl)pyrazine
  • 2-(( methylthio)methyl)pyrazine
  • ( methylthio)methylpyrazine
  • popcorn thiopyrazine
  • pyrazine, ((methylthio)methyl)-
  • pyrazine, [(methylthio)methyl]-
  • pyrazine, 2-(methylthiomethyl)-
  • pyrazine, 2-[(methylthio)methyl]-
  • pyrazine, 2-methyl-3(6)-5-methyl thio
  • pyrazinylmethyl methyl sulfide
  • 2-methyl-3-methylsulfanylpyrazine
  • Pyrazine, methyl(methylthio)-
  • Methyl(methylthio)pyrazine

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):HMDB32384
FooDB:FDB009804
Export Tariff Code:2933.90
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 140.20875549316
Specific gravity @ 25 °C
Pounds per Gallon 9.503 to 9.586
Refractive Index 1.575 to 1.585 @ 20 °C
Boiling Point 210 to 211°C @ 760 mm Hg
Vapor Pressure 0.161 mmHg @ 25 °C
Vapor Density 4.8
Flash Point TCC Value 89.44 °C TCC
logP (o/w) 0.153 est
Solubility
alcohol Yes
dipropylene glycol Yes
water, 3390 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Nutty
nutty, earthy, peanut, musty, coffee, vegetable, toasted, popcorn, roasted, almond, hazelnut, cashew, caramellic, corn chip
General comment At 0.10 % in dipropylene glycol. nutty earthy peanut musty coffee vegetable
Mosciano, Gerard P&F 25, No. 3, 25, (2000) At 1.00 %. Toasted popcorn, roasted almond, hazelnut, peanut and cashew nutty, with a caramellic and corn-chip nuance
Flavor Type: Nutty
peanut, pecan, nutty, popcorn, corn chip, burnt, musty
Mosciano, Gerard P&F 25, No. 3, 25, (2000) At 3.00 - 10.00 ppm. Peanut and pecan nutty, popcorn and corn-chip-like with a burnt musty nuance
Used in roast nut, chocolate and bread flavorus. The COE# 2290 is for 2-methyl-3-thiomethylpyrazine (not the isomeric mixture). Normal use levels in finished consumer product: 0.02-2 ppm. Council of Europe limits: Foods (4 ppm). Nutty

Potential Uses

Applications
Odor purposes Coffee, Hazelnut, Peanut, Popcorn
Flavoring purposes Almond toasted almond, Bread, Cabbage, Chocolate cocoa, Corn chip, Macadamia, Pecan
Other purposes Straw

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36/38 - Irritating to skin and eyes.
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 1970 mg/kg
(Posternak et al., 1975)

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 2-methyl thio-3,5 or 6-methyl pyrazine usage levels up to:
0.1000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 13.00 (μg/capita/day)
Structure Class: III
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: -4.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.00000
fruit ices: -2.00000
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -2.00000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):67952-65-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :100930
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-methyl-3-methylsulfanylpyrazine
Chemidplus:0067952652
RTECS:UQ3900000 for cas# 67952-65-2