Record Information
Version1.0
Creation date2010-04-08 22:14:45 UTC
Update date2019-11-26 03:18:21 UTC
Primary IDFDB020022
Secondary Accession Numbers
  • FDB009405
Chemical Information
FooDB Name3-Ethyl-2,5-dimethylpyrazine
DescriptionIsolated from coffee. Constituent of numerous cooked foods. Organoleptic agent with nutty roasted odour. 3-Ethyl-2,5-dimethylpyrazine is found in tea, soft-necked garlic, and coffee and coffee products.
CAS Number27043-05-6
Structure
Thumb
Synonyms
SynonymSource
2-Ethyl-3,5/6-dimethyl-pyrazineHMDB
2,5-Dimethyl-3-ethylpyrazinebiospider
Pyrazine, 3-ethyl-2,5-dimethyl-biospider
Predicted PropertiesNot Available
Chemical FormulaC8H12N2
IUPAC name
InChI IdentifierInChI=1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3
InChI KeyWHMWOHBXYIZFPF-UHFFFAOYSA-N
Isomeric SMILESCCC1=NC(C)=CN=C1C
Average Molecular Weight136.1943
Monoisotopic Molecular Weight136.100048394
Classification
ClassificationNot classified
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

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 PointBp11 72-73°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 Indexn24D 1.4945DFC
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID24145
ChEMBL IDCHEMBL95123
KEGG Compound IDNot Available
Pubchem Compound ID25916
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB32276
CRC / DFC (Dictionary of Food Compounds) IDMJQ66-K:MJQ66-K
EAFUS IDNot Available
Dr. Duke ID3,6-DIMETHYL-2-ETHYL-PYRAZINE|3-ETHYL-2,5-DIMETHYL-PYRAZINE|2-ETHYL-3,6-DIMETHYL-PYRAZINE
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet ID13360-65-1
GoodScent IDrw1426491
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
  2. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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
cocoa
  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.
nutty
  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).