| Pubchem ID | 19089 |
|---|---|
| CAS | 3558-60-9 |
| IUPAC name | 2-methoxyethylbenzene |
| Synonyms | (2-Methoxyethyl)benzene|Methyl phenethyl ether|2-Phenylethyl methyl ether|2-methoxyethylbenzene|Benzene, (2-methoxyethyl)-|Methyl phenylethyl ether|Phenylethyl methyl ether|Kewda ether|Methyl phenethyl oxide|Methyl 2-phenethyl ether|Kedwa ether|1-Methoxy-2-phenylethane|Phenethyl methyl ether|2-Phenethyl methyl ether |
| Categories | Flavor enhancer |
| SMILES | COCCC1=CC=CC=C1 |
| InCheykey | InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| 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 |
|---|---|---|---|---|
| 136.194 | 0 | 1 | 3 | 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 |