| Pubchem ID | 335 |
|---|---|
| CAS | 95-48-7 |
| IUPAC name | 2-methylphenol |
| Synonyms | 2-Methylphenol|2-hydroxytoluene|Orthocresol|Phenol, 2-methyl-|2-Cresol|o-methylphenol|o-Cresylic acid|o-Oxytoluene|o-Toluol|o-Methylphenylol|o-Hydroxytoluene|1-Hydroxy-2-methylbenzene|ortho-cresol|o-Kresol|2-methyl phenol |
| Categories | Flavor enhancer |
| SMILES | CC1=CC=CC=C1O |
| InCheykey | InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/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 | Irritant | Non-Irritant | Irritant | Non-Degradable |