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pyrazinyl methyl methyl sulfide
mixture of 2-methylthio-3-methylpyrazine and 2-methylthio-5-methylpyrazine

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CAS Number: 59021-03-3Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J113.403E
Beilstein Number:0774815
XlogP3-AA:0.30 (est)
Molecular Weight:140.20876000
Formula:C6 H8 N2 S
NMR Predictor:Predict (works with chrome, Edge or firefox)
Also(can) Contains:2-methyl-3-(methyl thio) pyrazine
 2-methyl-5-(methyl thio) pyrazine
Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 221.00 to 222.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.161000 mmHg @ 25.00 °C. (est)
Flash Point: 190.00 °F. TCC ( 87.60 °C. ) (est)
logP (o/w): 0.153 (est)
Soluble in:
 water, 2.703e+004 mg/L @ 25 °C (est)
Organoleptic Properties:
Flavor Type: cabbage
Taste Description: cabbage
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Mixture of 2-Methylthio-3-Methylpyrazine and 2-Methylthio-5-Methylpyrazine
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
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:
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
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):100930
Pubchem (sid):135059725
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
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
2-(methyl sulfanyl methyl) pyrazine
2-(methyl thio) methyl pyrazine
((methyl thio)methyl) pyrazine
2-methyl thiomethyl pyrazine
2-(methyl thiomethyl) 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
None found
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