| Pubchem ID | 61586 |
|---|---|
| CAS | 13184-86-6 |
| IUPAC name | 4-(ethoxymethyl)-2-methoxyphenol |
| Synonyms | 4-(Ethoxymethyl)-2-methoxyphenol|Vanillyl ethyl ether|Phenol, 4-(ethoxymethyl)-2-methoxy-|Ethyl vanillyl ether|Ethyl 4-hydroxy-3-methoxybenzyl ether |
| Categories | Flavor enhancer |
| SMILES | CCOCC1=CC(=C(C=C1)O)OC |
| InCheykey | InChI=1S/C10H14O3/c1-3-13-7-8-4-5-9(11)10(6-8)12-2/h4-6,11H,3,7H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 182.219 | 1 | 3 | 4 | 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 | Optimal Solubility | Weaker / Non binder | Medium | 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 | Degradable |