| Pubchem ID | 61712 |
|---|---|
| CAS | 14059-92-8 |
| IUPAC name | 4-ethyl-2,6-dimethoxyphenol |
| Synonyms | 4-Ethyl-2,6-dimethoxyphenol|Phenol, 4-ethyl-2,6-dimethoxy-|2,6-Dimethoxy-4-ethylphenol |
| Categories | Flavor enhancer |
| SMILES | CCC1=CC(=C(C(=C1)OC)O)OC |
| InCheykey | InChI=1S/C10H14O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h5-6,11H,4H2,1-3H3 |
| 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 |
|---|---|---|---|---|
| 182.219 | 1 | 3 | 3 | 38.7 |
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 | 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 |