Pubchem ID | 71587866 |
---|---|
CAS | 915971-43-6 |
IUPAC name | 3-(2-methylfuran-3-yl)sulfanylbutanal |
Synonyms | 3-((2-Methyl-3-furyl)thio)butanal |
Categories | Flavor enhancer |
SMILES | CC1=C(C=CO1)SC(C)CC=O |
InCheykey | InChI=1S/C9H12O2S/c1-7(3-5-10)12-9-4-6-11-8(9)2/h4-7H,3H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
184.253 | 0 | 3 | 4 | 55.5 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | Weaker / Non binder | Medium | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |