Record Information
Version1.0
Creation date2010-04-08 22:14:44 UTC
Update date2019-11-26 03:18:20 UTC
Primary IDFDB020021
Secondary Accession Numbers
  • FDB029773
Chemical Information
FooDB Name2-Ethyl-3,5-dimethylpyrazine
DescriptionIsolated from coffee aromaand is) also present in raw asparagus, wheat bread, other breads, smoked fatty fish, roast chicken, roast beef, lamb and mutton liver, black tea, hydrolyzed soy protein and other foods. Organoleptic agent. Flavouring agent. 2-Ethyl-3,5-dimethylpyrazine is found in many foods, some of which are animal foods, coffee and coffee products, tea, and cereals and cereal products.
CAS Number13925-07-0
Structure
Thumb
Synonyms
SynonymSource
2-Ethyl-3,5-dimethyl pyrazinebiospider
2-Ethyl-3,5-dimethyl-pyrazineHMDB
2-Ethyl-3,5(6)-dimethyl-pyrazinebiospider
2,6-Dimethyl-3-ethyl-pyrazineHMDB
2,6-Dimethyl-3-ethylpyrazinebiospider
3-Ethyl-2,6-dimethylpyrazinebiospider
3,5-Dimethyl-2-ethyl-pyrazineHMDB
3,5-Dimethyl-2-ethylpyrazinebiospider
FEMA 3150db_source
Pyrazine, 2-ethyl-3,5-dimethyl-biospider
Pyrazine, 2,6-dimethyl-3-ethyl-biospider
Pyrazine, 3-ethyl-2,6-dimethylbiospider
Pyrazine, 3,5-dimethyl-2-ethyl-biospider
Predicted PropertiesNot Available
Chemical FormulaC8H12N2
IUPAC name
InChI IdentifierInChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3
InChI KeyJZBCTZLGKSYRSF-UHFFFAOYSA-N
Isomeric SMILESCCC1=C(C)N=C(C)C=N1
Average Molecular Weight136.1943
Monoisotopic Molecular Weight136.100048394
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Industrial application:

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 70.55%; H 8.88%; N 20.57%DFC
Melting PointNot Available
Boiling PointBp8 64-66°DFC
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 Indexn22D 1.4975DFC
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID24536
ChEMBL IDCHEMBL328856
KEGG Compound IDNot Available
Pubchem Compound ID26334
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB40299
CRC / DFC (Dictionary of Food Compounds) IDMJQ65-J:MJQ65-J
EAFUS ID1174
Dr. Duke ID3,5-DIMETHYL-2-ETHYL-PYRAZINE|2-ETHYL-3,5-DIMETHYL-PYRAZINE
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet ID13925-07-0
GoodScent IDrw1008281
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
potato
  1. Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
roast
  1. Arn, H, Acree TE. “Flavornet: A database of aroma compounds based on odor potency in natural products”. Developments in Food Science 40 (1998): 27. doi:10.1016/S0167-4501(98)80029-0
burnt almonds
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
roasted nuts
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
coffee
  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— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).