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2-mercaptomethyl pyrazine

Chemical Structure

General Material Information

Preferred name 2-mercaptomethyl pyrazine
Trivial Name Pyrazinemethanethiol
Short Description 2-(mercaptomethyl)pyrazine
Formula C5 H6 N2 S
CAS Number 59021-02-2
FEMA Number 3299
Flavis Number 14.053
FDA UNII CUV3XV379F
Nikkaji Number J429.384C
Beilstein Number 0878425
COE Number 11502
NMR Predictor External link
JECFA Food Flavoring 794 2-(mercaptomethyl)pyrazine
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 59021-02-2 ; 2-MERCAPTOMETHYLPYRAZINE
Synonyms
  • 2-mercapto methyl pyrazine
  • mercaptomethyl pyrazine
  • 2-( mercaptomethyl)pyrazine
  • 2-mercaptomethylpyrazine
  • pyrazin-2-yl methane thiol
  • pyrazin-2-ylmethanethiol
  • pyrazine methane thiol
  • pyrazine, 2-mercaptomethyl-
  • pyrazinemethanethiol
  • 2-pyrazinemethanethiol
  • pyrazinyl methyl mercaptan
  • pyrazinylmethyl mercaptan
  • pyrazinylmethyl-mercaptan
  • pyrazinylmethylmercaptan
  • 2-Pyrazinemethanethiol
  • 2-(Mercaptomethyl)pyrazine
  • (Pyrazin-2-yl)methanethiol

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

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Literature & References

pyrazin-2-ylmethanethiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:59021-02-2
Pubchem (cid):62145
Pubchem (sid):135020126
Publications by US Patents
3,952,024 - Furfurylthioacetone
Certain 2,5-dimethyl-3-thiopyrazines

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):HMDB36186
FooDB:FDB015040
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 126.18182373047
Specific gravity @ 25 °C
Pounds per Gallon
Boiling Point 44 to 45°C @ 0.07 mm Hg
Vapor Pressure 0.134 mmHg @ 25 °C
Flash Point TCC Value 60 °C TCC
logP (o/w) 0.633 est
Solubility
alcohol Yes
water Yes
water, 4.075e+004 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Caramellic
meaty roasted meaty
General comment At 0.10 % in propylene glycol. roasted in sugar syrup meaty
Flavor Type: Meaty
meaty roasted meaty
General comment Roasted meat-like

Potential Uses

Applications
Flavoring purposes Meat, Roasted

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:
gavage-rat LD50 [sex: M,F] 2100 mg/kg
(Burdock & Ford, 1990b)

oral-rat LD50 1700 mg/kg
KIDNEY, URETER, AND BLADDER: OTHER CHANGES BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 4, 1990.

intraperitoneal-mouse LD50 100 mg/kg
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 18, Pg. 515, 1983.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for 2-mercaptomethyl pyrazine usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (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: 5
Click here to view publication 5
average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -10.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -10.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -10.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -10.00000
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):59021-02-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62145
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
pyrazin-2-ylmethanethiol
Chemidplus:0059021022