Record Information
Version1.0
Creation date2010-04-08 22:12:45 UTC
Update date2018-05-29 18:28:49 UTC
Primary IDFDB016964
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name4-Acetyl-2-methylpyrimidine
Description4-Acetyl-2-methylpyrimidine is a flavouring ingredient. It is found in cooked meats and other animal foods.
CAS Number67860-38-2
Structure
Thumb
Synonyms
SynonymSource
1-(2-Methyl-4-pyrimidinyl)-ethanoneHMDB
1-(2-Methyl-4-pyrimidinyl)ethanoneHMDB
1-(2-Methyl-4-pyrimidinyl)ethanone, 9ciHMDB
2-Methyl-4-acetylpyrimidineHMDB
FEMA 3654HMDB
1-(2-Methyl-4-pyrimidinyl)ethanone, 9CIdb_source
Ethanone, 1-(2-methyl-4-pyrimidinyl)-biospider
Predicted PropertiesNot Available
Chemical FormulaC7H8N2O
IUPAC name
InChI IdentifierInChI=1S/C7H8N2O/c1-5(10)7-3-4-8-6(2)9-7/h3-4H,1-2H3
InChI KeyZADBZWAGUOHTAB-UHFFFAOYSA-N
Isomeric SMILESCC(=O)C1=NC(C)=NC=C1
Average Molecular Weight136.1512
Monoisotopic Molecular Weight136.063662888
Classification
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
  • Pyrimidine
  • 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
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 61.75%; H 5.92%; N 20.57%; O 11.75%DFC
Melting PointNot Available
Boiling PointBp10 85-90°DFC
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
Densityd204 1.1DFC
Refractive Indexn20D 1.5039DFC
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
ChemSpider ID4515085
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID5362572
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB37819
CRC / DFC (Dictionary of Food Compounds) IDKVP13-X:KVP13-X
EAFUS ID47
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1037271
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
burnt
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
meaty
  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