Pubchem ID | 61936 |
---|---|
CAS | 34619-12-0 |
IUPAC name | 4-sulfanylbutan-2-one |
Synonyms | 4-Mercapto-2-butanone|2-Keto-4-butanethiol|2-Butanone, 4-mercapto-|4-sulfanylbutan-2-one|1-mercaptobutan-3-one|4-mercaptobutan-2-one|FEMA No. 3357 |
Categories | Flavor enhancer |
SMILES | CC(=O)CCS |
InCheykey | InChI=1S/C4H8OS/c1-4(5)2-3-6/h6H,2-3H2,1H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
104.167 | 1 | 2 | 2 | 18.1 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Moderate Absorption | Optimal Solubility | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |