Compound Summary

General Compound Information

3-(methylthio)propanal

Description
3-methylthiopropanal is an aliphatic sulfide. It has a role as a prostaglandin antagonist. It derives from a propanal.
Synonyms
3-(Methylthio)propionaldehyde;  Methional;  3268-49-3;  3-(METHYLTHIO)PROPANAL;  Propanal, 3-(methylthio)-;
FlavorDB ID
282
PUBCHEM ID
Molecular Weight
104.17
Molecular Formula
C4H8OS
Openeye Can Smiles
CSCCC=O
IUPAC Inchikey
CLUWOWRTHNNBBU-UHFFFAOYSA-N
Compound Classification
  • ClassyFire Ontology
Compound Quality
CATEGORY QUALITY THRESHOLD OCCURENCE REFERENCE
smell cooked potato-like 4.000e-1 µmol/L details
smell cooked potato-like 4.128e-3 µmol/L details
smell cooked potato-like 1.344e-2 µmol/L details
smell cooked potato-like 4.128e-3 µmol/L guava details
smell cooked potato-like 3.840e-3 µmol/L details
smell potato-like 4.128e-3 µmol/L chicken egg omlette details
smell cooked potato-like 4.128e-3 µmol/L licorice details
smell cooked potato-like 4.128e-3 µmol/L mango details
smell cooked potato-like 4.128e-3 µmol/L licorice details
smell 4.128e-3 µmol/L curry leaf details
smell 4.128e-3 µmol/L blanched prawnfried prawn details
smell cooked potato-like 4.128e-3 µmol/L tomato details
smell cooked potato-like 5.088e-3 µmol/L red wine details
smell cooked potato-like 4.128e-3 µmol/L jackfruit pulp details
smell cooked potato-like 4.128e-3 µmol/L cempedak details
smell cooked potato-like 4.128e-3 µmol/L barley tea details
Compound Toxicity and Food Additive Safety (OFAS)
Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
IDENTIFICATION AND USE: 4-Thiapentanal is a colorless to amber liquid. The chemical is used as intermediate in chemical industry for the production of the amino acid methionine and methionine-hydroxyl analog. A minor use as a food flavoring agent and tobacco ingredient has been identified.
HUMAN STUDIES: The activities of butyryl and acetylchoninesterase decreased with increases of occupational service time in the blood of apparently healthy workers exposed to the chemical.
ANIMAL STUDIES: 4-Thiapentanal was irritating to the skin and mucous membranes. It had demonstrated a skin sensitizing potential in a guinea pig test. With regard to respiratory irritation it is unclear from the existing studies whether the observed local effects in inhalation studies are attributable to 4-thiapentanal or acrolein that can be enriched in the vapor phase under the test conditions. Exposure of rats to a statically generated saturated atmosphere killed all 5 males with a 40 min exposure and all 5 females with a 24 min exposure. In contrast, a 4-hr exposure of rats to a dynamically generated saturated vapor atmosphere did not produce any mortalities or signs of toxicity. After 28 days oral administration of 4-thiapentanal by gavage to rats a slight hemolytic effect with reduced red blood cell counts and hemoglobin levels, increases in blood bilirubin levels and indications of increased hematopoiesis in the spleen observed at 521 mg/kg bw/d. Dermal exposure of rats for 9 days (6 hr occluded exposure per day) resulted in a slight decrease in body weight gain at a dose of 527 mg/kg bw/d. No effects on the sex organs of rats (male or female) have been observed in the 9-day inhalation study and the 28-day oral study. 4-Thiapentanal did not reveal any developmental toxicity in a study with rats by the inhalation route at exposure concentrations that were clearly maternally toxic. 4-Thiapentanal did not produce mutagenic activity either in the absence or presence of metabolic activation with a Salmonella typhimurium reverse mutation assay using strains TA98, TA100, TA1535, TA1537 and TA1538. In a mouse lymphoma cell assay, it produced concentration-related increases in mutant colonies, both in the absence and presence of metabolic activation. However, in an in vivo mouse micronucleus study 4-thiapentanal showed a negative result, indicating that the clastogenesis that was demonstrated in an in vitro study does not occur in vivo.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)
Food Additive Safety (OFAS)
3-(METHYLTHIO)PROPIONALDEHYDE is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.
EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 3-(Methylthio)propionaldehyde
Receptors
Receptor information of this compound is not available!
GC-MS Consensus Spectra
GC-MS Consensus Spectra information of this compound is not available!