Pubchem ID | 61660 |
---|---|
CAS | 13678-68-7 |
IUPAC name | S-(furan-2-ylmethyl) ethanethioate |
Synonyms | S-Furfuryl thioacetate|Furfuryl thioacetate|Furfurylthiol acetate |
Categories | Flavor enhancer |
SMILES | CC(=O)SCC1=CC=CO1 |
InCheykey | InChI=1S/C7H8O2S/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
156.199 | 0 | 3 | 3 | 55.5 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |