| Pubchem ID | 19309 |
|---|---|
| CAS | 3658-77-3 |
| IUPAC name | 4-hydroxy-2,5-dimethylfuran-3-one |
| Synonyms | 4-hydroxy-2,5-dimethylfuran-3(2H)-one|4-Hydroxy-2,5-dimethyl-3(2H)-furanone|4-Hydroxy-2,5-dimethyl-3(2H)furanone|2,5-Dimethyl-4-hydroxy-3(2H)-furanone|Dimethylhydroxy furanone |
| Categories | Flavor enhancer |
| SMILES | CC1C(=O)C(=C(O1)C)O |
| InCheykey | InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3 |
| 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 |
|---|---|---|---|---|
| 128.127 | 1 | 3 | 0 | 46.5 |
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 |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |