| Pubchem ID | 62348 |
|---|---|
| CAS | 498-00-0 |
| IUPAC name | 4-(hydroxymethyl)-2-methoxyphenol |
| Synonyms | 4-Hydroxy-3-methoxybenzyl alcohol|4-(Hydroxymethyl)-2-methoxyphenol|Vanillin alcohol|Vanillic alcohol|4-Hydroxy-3-methoxybenzenemethanol |
| Categories | Flavor enhancer |
| SMILES | COC1=C(C=CC(=C1)CO)O |
| InCheykey | InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3 |
| 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 |
|---|---|---|---|---|
| 154.165 | 2 | 3 | 2 | 49.7 |
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 | Non 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 |