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pyrazinyl methyl methyl sulfide

Chemical Structure

General Material Information

Preferred name pyrazinyl methyl methyl sulfide
Trivial Name 2-[(Methylthio)methyl]pyrazine
Short Description mixture of 2-methylthio-3-methylpyrazine and 2-methylthio-5-methylpyrazine
Formula C6 H8 N2 S
CAS Number 59021-03-3
FDA UNII Search
Nikkaji Number J113.403E
Beilstein Number 0774815
xLogP3-AA 0.30 (est)
NMR Predictor External link
Synonyms
  • 2-( methyl sulfanyl methyl) pyrazine
  • 2-( methyl thio) methyl pyrazine
  • (( methyl thio)methyl) pyrazine
  • 2-methyl thiomethyl pyrazine
  • 2-( methyl thiomethyl) pyrazine
  • 2-( methylsulfanylmethyl)pyrazine
  • 2-methylthio-3-methylpyrazine and 2-methylthio-5-methylpyrazine mixture
  • 2-methylthio-5-methylpyrazine and 2-methylthio-3-methylpyrazine mixture
  • mixture of 2-methylthio-3-methylpyrazine and 2-methylthio-5-methylpyrazine
  • 2-(methylsulfanylmethyl)pyrazine
  • Pyrazine, 2-[(methylthio)methyl]-
  • Pyrazine, [(methylthio)methyl]-
  • 2-[(Methylthio)methyl]pyrazine
  • Methyl pyrazinylmethyl sulfide
  • 2-[(Methylsulfanyl)methyl]pyrazine

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Literature & References

2-(methylsulfanylmethyl)pyrazine
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):100930
Pubchem (sid):135059725
Publications by US Patents
3,952,024 - Furfurylthioacetone

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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 140.20875549316
Boiling Point 221 to 222°C @ 760 mm Hg
Vapor Pressure 0.161 mmHg @ 25 °C
Flash Point TCC Value 87.6 °C TCC
logP (o/w) 0.153 est
Solubility
alcohol Yes
water, 2.703e+004 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Flavor Type: Cabbage
cabbage
General comment Cabbage

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:
oral-rat LD50 2150 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 487, 1975.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavoring agents
Recommendation for pyrazinyl methyl methyl sulfide usage levels up to:
not for fragrance use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):59021-03-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :100930
National Institute of Allergy and Infectious Diseases:Data
2-(methylsulfanylmethyl)pyrazine
Chemidplus:0059021033