| Pubchem ID | 7361 |
|---|---|
| CAS | 98-00-0 |
| IUPAC name | furan-2-ylmethanol |
| Synonyms | 2-Furanmethanol|2-Furylmethanol|furan-2-ylmethanol|2-Furancarbinol|Furfural alcohol|2-Furylcarbinol|2-Furanylmethanol|Furfuranol|2-Furfuryl alcohol|Furfurylalcohol|5-Hydroxymethylfuran |
| Categories | Flavor enhancer |
| SMILES | C1=COC(=C1)CO |
| InCheykey | InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2 |
| 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 |
|---|---|---|---|---|
| 98.101 | 1 | 2 | 1 | 33.4 |
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 | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |