Record Information
Version1.0
Creation date2010-04-08 22:09:44 UTC
Update date2019-11-26 03:05:10 UTC
Primary IDFDB011630
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name2-Acetyl-4,5-dihydrothiazole
DescriptionReported in beef broth, roast beef and overpasteurized beer. Roasted meat-like flavour ingredient. 2-Acetyl-4,5-dihydrothiazole is found in alcoholic beverages and animal foods.
CAS Number29926-41-8
Structure
Thumb
Synonyms
SynonymSource
1-(4,5-Dihydro-1,3-thiazol-2-yl)ethanonebiospider
1-(4,5-dihydro-2-Thiazolyl)-ethanoneHMDB
1-(4,5-Dihydro-2-thiazolyl)ethanone, 9CIdb_source
2-Acetyl-2-thiazolinedb_source
2-acetylthiazolinebiospider
2-Thiazoline, 2-acetylbiospider
Acetylthiazolinebiospider
Ethanone, 1-(4,5-dihydro-2-thiazolyl)-biospider
FEMA 3817db_source
Methyl 2-thiazolin-2-yl ketone, 8CIdb_source
Predicted PropertiesNot Available
Chemical FormulaC5H7NOS
IUPAC name
InChI IdentifierInChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-3H2,1H3
InChI KeyFZOZFDAMVVEZSJ-UHFFFAOYSA-N
Isomeric SMILESCC(=O)C1=NCCS1
Average Molecular Weight129.18
Monoisotopic Molecular Weight129.024834541
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 46.49%; H 5.46%; N 10.84%; O 12.39%; S 24.82%DFC
Melting PointMp 25-26°DFC
Boiling PointBp11 94°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 Indexn20D 1.5294DFC
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID147905
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID169110
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB33561
CRC / DFC (Dictionary of Food Compounds) IDGWJ93-G:GWJ93-G
EAFUS ID55
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet ID29926-41-8
GoodScent IDrw1038521
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
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
popcorn
  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
corn
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
chip
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
taco
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
potato
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
toasted
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
bread
  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