| Pubchem ID | 7144 |
|---|---|
| CAS | 93-51-6 |
| IUPAC name | 2-methoxy-4-methylphenol |
| Synonyms | 4-Methylguaiacol|Phenol, 2-methoxy-4-methyl-|2-Methoxy-p-cresol|4-Methyl guaiacol|Homoguaiacol|p-Methylguaiacol |
| Categories | Flavor enhancer |
| SMILES | CC1=CC(=C(C=C1)O)OC |
| InCheykey | InChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3 |
| 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 |
|---|---|---|---|---|
| 138.166 | 1 | 2 | 1 | 29.5 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Binder | High | 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 | Non-Degradable |