| Pubchem ID | 104231667 |
|---|---|
| CAS | 8007-00-9 |
| IUPAC name | 1-[2-methoxy-6-(2-methylimidazol-1-yl)phenyl]ethanol |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC1=NC=CN1C2=C(C(=CC=C2)OC)C(C)O |
| InCheykey | InChI=1S/C13H16N2O2/c1-9(16)13-11(5-4-6-12(13)17-3)15-8-7-14-10(15)2/h4-9,16H,1-3H3 |
| 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 |
|---|---|---|---|---|
| 232.283 | 1 | 3 | 3 | 47.3 |
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 | Medium | 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 |