| Pubchem ID | 125 |
|---|---|
| CAS | 623-05-2 |
| IUPAC name | 4-(hydroxymethyl)phenol |
| Synonyms | 4-(Hydroxymethyl)phenol|p-Hydroxybenzyl alcohol|p-Methylolphenol|4-Hydroxybenzenemethanol|4-Methylolphenol|Benzenemethanol, 4-hydroxy-|p-(Hydroxymethyl)phenol|4-Hydroxybenzylalcohol|Benzyl alcohol, p-hydroxy-|alpha-Hydroxy-p-cresol|Gastrodigenin|Parahydroxybenzyl Alcohol|para-hydroxybenzyl alcohol|Benzenemethanol, 4 |
| Categories | Flavor enhancer |
| SMILES | C1=CC(=CC=C1CO)O |
| InCheykey | InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2 |
| 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 |
|---|---|---|---|---|
| 124.139 | 2 | 2 | 1 | 40.5 |
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 | Medium | 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 | Non-Irritant | Irritant | Irritant | Non-Degradable |