| Pubchem ID | 7731 |
|---|---|
| CAS | 104-93-8 |
| IUPAC name | 1-methoxy-4-methylbenzene |
| Synonyms | p-Methylanisole|4-Methoxytoluene|p-Methoxytoluene|Benzene, 1-methoxy-4-methyl-|p-Cresol methyl ether|p-Cresyl methyl ether|p-methyl anisole|Anisole, p-methyl-|Methyl p-tolyl ether|p-Tolyl methyl ether|Methyl p-cresyl ether|4-Methyl anisole |
| Categories | Flavor enhancer |
| SMILES | CC1=CC=C(C=C1)OC |
| InCheykey | InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,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 |
|---|---|---|---|---|
| 122.167 | 0 | 1 | 1 | 9.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | 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 |