| Pubchem ID | 342 |
|---|---|
| CAS | 108-39-4 |
| IUPAC name | 3-methylphenol |
| Synonyms | 3-methylphenol|Metacresol|Phenol, 3-methyl-|meta-cresol|3-cresol|3-hydroxytoluene|m-methylphenol|m-kresol|m-oxytoluene|m-toluol|m-cresylic acid|1-hydroxy-3-methylbenzene|m-Hydroxytoluene|Franklin Cresolis|meta-cresylic acid |
| Categories | Flavor enhancer |
| SMILES | CC1=CC(=CC=C1)O |
| InCheykey | InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 108.14 | 1 | 1 | 0 | 20.2 |
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 | Binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |