2,5-dimethyl-5-isopentyl pyrazine
pyrazine, 3-isopentyl-2,5-dimethyl-
 
Notes:
Flavouring compound [Flavornet]
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CAS Number: 18433-98-2Picture of molecule3D/inchi
Nikkaji Web: J102.616J
XlogP3: 2.50 (est)
Molecular Weight: 178.27846000
Formula: C11 H18 N2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 242.00 to  243.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.054000 mmHg @ 25.00 °C. (est)
Flash Point: 195.00 °F. TCC ( 90.70 °C. ) (est)
logP (o/w): 2.829 (est)
Soluble in:
 alcohol
 water, 60.71 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Description:
fruity
 
 
Flavor Type: anise
 
 anise  
Taste Description:
anise
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for 2,5-dimethyl-5-isopentyl pyrazine usage levels up to:
 not for fragrance use.
 
Recommendation for 2,5-dimethyl-5-isopentyl pyrazine flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 519564
National Institute of Allergy and Infectious Diseases: Data
 2,5-dimethyl-3-(3-methylbutyl)pyrazine
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References:
 2,5-dimethyl-3-(3-methylbutyl)pyrazine
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 519564
Pubchem (cas): 18433-98-2
Flavornet: 18433-98-2
Pherobase: View
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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
CHEMBL: View
HMDB (The Human Metabolome Database): Search
FooDB: FDB029719
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 chicory root oil @ 0.073%
Data  GC  Search Trop  Picture
 cocoa
PbMd  Search Trop  Picture
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Synonyms:
2,6-dimethyl-3-(3-methyl butyl) pyrazine
2,5-dimethyl-3-(3-methylbutyl)pyrazine
2,5-dimethyl-3-isoamyl pyrazine
2,5-dimethyl-3-isoamylpyrazine
2,5-dimethyl-5-isopentylpyrazine
isopentyl dimethyl pyrazine
2-isopentyl-3,6-dimethyl pyrazine
2-isopentyl-3,6-dimethylpyrazine
 pyrazine, 3-isopentyl-2,5-dimethyl-
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