Record Information
Version1.0
Creation date2010-04-08 22:14:34 UTC
Update date2015-07-21 06:38:21 UTC
Primary IDFDB019750
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name4-Butyl-5-methylthiazole
DescriptionBell-pepper odour; claimed food uses are not well documented
CAS Number57246-60-3
Structure
Thumb
Synonyms
SynonymSource
4-Butyl-5-methyl-thiazoleHMDB
4-Butyl-5-methylthiazolebiospider
Thiazole, 4-butyl-5-methyl-biospider
Predicted PropertiesNot Available
Chemical FormulaC8H13NS
IUPAC name
InChI IdentifierInChI=1S/C8H13NS/c1-3-4-5-8-7(2)10-6-9-8/h6H,3-5H2,1-2H3
InChI KeyFOBITDGBIATDTQ-UHFFFAOYSA-N
Isomeric SMILESCCCCC1=C(C)SC=N1
Average Molecular Weight155.261
Monoisotopic Molecular Weight155.076870111
Classification
ClassificationNot classified
Ontology
Disposition

Biological location:

Source:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 61.89%; H 8.44%; N 9.02%; S 20.65%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
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID84490
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID93596
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB40063
CRC / DFC (Dictionary of Food Compounds) IDMCQ27-C:MCR39-M
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1521101
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
green
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
bell
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
pepper
  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