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pyrazinyl methyl sulfide

Chemical Structure

General Material Information

Preferred name pyrazinyl methyl sulfide
Trivial Name 2-(Methylthio)pyrazine
Short Description 2-methyl mercaptopyrazine
Formula C5 H6 N2 S
CAS Number 21948-70-9
FEMA Number 3231
Flavis Number 14.034
ECHA Number 244-675-1
FDA UNII R1C97E3A4F
Nikkaji Number J225.488C
MDL MFCD00041024
COE Number 2288
NMR Predictor External link
JECFA Food Flavoring 796 pyrazinyl methyl sulfide
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 21948-70-9 ; PYRAZINYL METHYL SULFIDE
Synonyms
  • 2-methyl mercaptopyrazine
  • 2-methyl thio pyrazine
  • ( methyl thio) pyrazine
  • 2-( methyl thio) pyrazine
  • 2-methyl thiopyrazine
  • 2-( methylmercapto)pyrazine
  • 2-methylsulfanyl-pyrazine
  • 2-( methylsulfanyl)pyrazine
  • 2-methylsulfanylpyrazine
  • 2-methylthio pyrazine
  • ( methylthio)pyrazine
  • 2-( methylthio)pyrazine
  • 2-methylthiopyrazine
  • pyrazine, 2-(methylthio)-
  • pyrazinylmethyl sulfide
  • 2-methylsulfanylpyrazine
  • Pyrazine, (methylthio)-
  • 2-(Methylthio)pyrazine
  • 2-Methylmercaptopyrazine
  • Methyl pyrazinyl sulfide
  • (Methylthio)pyrazine
  • 2-(Methylsulfanyl)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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB33152
FooDB:FDB011157
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 126.18182373047
Melting Point 42 to 47°C @ 760 mm Hg
Vapor Pressure 0.161 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 1.17
Solubility
propylene glycol Yes
water, 9533 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
corn chip, nutty, sulfurous, ethereal
General comment At 0.10 % in propylene glycol. corn chip nutty sulfurous ether

Occurrences

Potential Uses

Applications
Flavoring purposes Cauliflower, Garlic, Leek, Onion

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to 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 37/39 - Wear suitable 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 [sex: M,F] 2500 mg/kg
(Posternak et al., 1975)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for pyrazinyl methyl sulfide usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0061 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (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: -1.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
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):21948-70-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :519907
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-methylsulfanylpyrazine
Chemidplus:0021948709