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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:46:00 UTC
Update Date2023-02-21 17:21:24 UTC
HMDB IDHMDB0031861
Secondary Accession Numbers
  • HMDB31861
Metabolite Identification
Common Name2-Acetylpyrazine
Description2-Acetylpyrazine, also known as 1-pyrazinylethanone, belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. 2-Acetylpyrazine is a bitter, bread crust, and chip tasting compound. Based on a literature review a significant number of articles have been published on 2-Acetylpyrazine.
Structure
Thumb
Synonyms
ValueSource
1-(2-Pyrazinyl)ethanoneChEBI
1-(Pyrazin-2-yl)ethan-1-oneChEBI
1-PyrazinylethanoneChEBI
2-Acetyl-1,4-diazineChEBI
AcetylpyrazineChEBI
Methyl 2-pyrazinyl ketoneChEBI
Methyl pyrazinyl ketoneChEBI
Pyrazin-1-ylethan-1-oneChEBI
1-(2-Pyrazinyl)-ethanoneHMDB
1-Pyrazin-2-ylethan-1-oneHMDB
1-Pyrazinyl-ethanoneHMDB
FEMA 3126HMDB
Ketone, methyl pyrazinylHMDB
L-Pyrazinyl-ethanoneHMDB
Pyrazine der.HMDB
Chemical FormulaC6H6N2O
Average Molecular Weight122.1246
Monoisotopic Molecular Weight122.048012824
IUPAC Name1-(pyrazin-2-yl)ethan-1-one
Traditional Nameacetylpyrazine
CAS Registry Number22047-25-2
SMILES
CC(=O)C1=CN=CC=N1
InChI Identifier
InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3
InChI KeyDBZAKQWXICEWNW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentAryl alkyl ketones
Alternative Parents
Substituents
  • Aryl alkyl ketone
  • Pyrazine
  • Heteroaromatic compound
  • Azacycle
  • Organoheterocyclic compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point75 - 77 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP0.20Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB008545
KNApSAcK IDNot Available
Chemspider ID28682
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAcetylpyrazine
METLIN IDNot Available
PubChem Compound30914
PDB IDNot Available
ChEBI ID145236
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .