Record Information
Version1.0
Creation date2010-04-08 22:12:15 UTC
Update date2018-05-29 18:28:28 UTC
Primary IDFDB016129
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name(1-Methylethenyl)pyrazine
Description(1-Methylethenyl)pyrazine is a Maillard product and can be used as flavouring ingredient. It is found in roasted sesame seed, roasted coffee beans, roasted peanut, oolong tea, cooked beef, fried chicken, roasted cocoa beans, tortilla chips and fermented soybeans.
CAS Number38713-41-6
Structure
Thumb
Synonyms
SynonymSource
(1-Methylethenyl)-prazineHMDB
(1-Methylethenyl)-pyrazineHMDB
1-MethylethenylpyrazineHMDB
2-(1-Methylethenyl)-pyrazineHMDB
2-(1-Methylvinyl)pyrazineHMDB
2-(alpha-Methylvinyl)pyrazineHMDB
2-Isopropenyl-1,4-diazineHMDB
2-IsopropenylpyrazineHMDB
FEMA 3296HMDB
IsopropenylpyrazineHMDB
Isopropenylpyrazine, 8ciHMDB
Isopropenylpyrazine, 8CIdb_source
Prazine, (1-methylethenyl)-biospider
Pyrazine, (1-methylethenyl)-biospider
Pyrazine, 2-(1-methylethenyl)-biospider
Predicted PropertiesNot Available
Chemical FormulaC7H8N2
IUPAC name
InChI IdentifierInChI=1S/C7H8N2/c1-6(2)7-5-8-3-4-9-7/h3-5H,1H2,2H3
InChI KeyJMKUTMOIKCXELD-UHFFFAOYSA-N
Isomeric SMILESCC(=C)C1=CN=CC=N1
Average Molecular Weight120.1518
Monoisotopic Molecular Weight120.068748266
Classification
Description belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrazines
Direct ParentPyrazines
Alternative Parents
Substituents
  • Pyrazine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 69.97%; H 6.71%; N 23.31%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
ChemSpider ID56622
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID62897
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB37134
CRC / DFC (Dictionary of Food Compounds) IDKOO04-T:KOO04-T
EAFUS ID1906
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1035741
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
caramellic
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
chocolate
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
nutty
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
roasted
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference