| Pubchem ID | 8369 |
|---|---|
| CAS | 118-71-8 |
| IUPAC name | 3-hydroxy-2-methylpyran-4-one |
| Synonyms | 3-Hydroxy-2-methyl-4-pyrone|3-Hydroxy-2-methyl-4H-pyran-4-one|Larixinic acid|Talmon|Palatone|Vetol|Larixic acid|Corps praline|4H-Pyran-4-one, 3-hydroxy-2-methyl-|2-Methyl pyromeconic acid|Veltol|2-Methyl-3-hydroxypyrone |
| Categories | Flavor enhancer |
| SMILES | CC1=C(C(=O)C=CO1)O |
| InCheykey | InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3 |
| Natural | YES |
| E No. | E636 |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 126.111 | 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 |