| Pubchem ID | 7362 |
|---|---|
| CAS | 98-01-1 |
| IUPAC name | furan-2-carbaldehyde |
| Synonyms | 2-Furaldehyde|furan-2-carbaldehyde|2-Furancarboxaldehyde|Furaldehyde|Furfuraldehyde|2-Formylfuran|Fural|2-Furancarbonal|2-Furanaldehyde|2-Furfural|2-Furfuraldehyde|Furancarbonal|Furfurole|Furole|Furale|Furfurylaldehyde |
| Categories | Flavor enhancer |
| SMILES | C1=COC(=C1)C=O |
| InCheykey | InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H |
| 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 |
|---|---|---|---|---|
| 96.085 | 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 |