| Pubchem ID | 14505 |
|---|---|
| CAS | 1192-62-7 |
| IUPAC name | 1-(furan-2-yl)ethanone |
| Synonyms | 2-Acetylfuran|1-(furan-2-yl)ethanone|Acetylfuran|Methyl 2-furyl ketone |
| Categories | Flavor enhancer |
| SMILES | CC(=O)C1=CC=CO1 |
| InCheykey | InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 110.112 | 0 | 2 | 1 | 30.2 |
ADME Predicted Parameters
| 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 | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Mutagen | Irritant | Irritant | Irritant | Degradable |