Record Information
Version1.0
Creation date2010-04-08 22:08:03 UTC
Update date2015-07-20 22:21:44 UTC
Primary IDFDB008381
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name(Methylthio)acetaldehyde
DescriptionFlavouring ingredient
CAS Number23328-62-3
Structure
Thumb
Synonyms
SynonymSource
(Methylthio)acetaldehydedb_source
2-[Methylthio]ethanalbiospider
2-methylsulfanylacetaldehydebiospider
FEMA 3206db_source
Methylthioacetaldehydebiospider
Predicted PropertiesNot Available
Chemical FormulaC3H6OS
IUPAC name
InChI IdentifierInChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3
InChI KeyNCNSBFDGXBKAKB-UHFFFAOYSA-N
Isomeric SMILESCSCC=O
Average Molecular Weight90.144
Monoisotopic Molecular Weight90.013935504
Classification
ClassificationNot classified
Ontology
Disposition

Source:

Biological location:

Role

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 39.97%; H 6.71%; O 17.75%; S 35.57%DFC
Melting PointNot Available
Boiling PointBp10 35°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 IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID9063092
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID10887828
Pubchem Substance IDNot Available
ChEBI ID50716
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB31718
CRC / DFC (Dictionary of Food Compounds) IDGBS97-M:DHN06-U
EAFUS ID2514
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1009011
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
sulfurous
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
vegetable
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
onion
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
garlic
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
mustard
  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.
potato
  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