| Pubchem ID | 12150 |
|---|---|
| CAS | 622-62-8 |
| IUPAC name | 4-ethoxyphenol |
| Synonyms | 4-Ethoxyphenol|Phenol, 4-ethoxy-|4-Ethyloxyphenol|p-Hydroxyphenetole|Phenol, p-ethoxy-|4-ethoxy-phenol|para-ethoxyphenol|1-Ethoxy-4-hydroxybenzene|4-Ethoxyphenole |
| Categories | Flavor enhancer |
| SMILES | CCOC1=CC=C(C=C1)O |
| InCheykey | InChI=1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3 |
| 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 |
|---|---|---|---|---|
| 138.166 | 1 | 2 | 2 | 29.5 |
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 | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Non-Degradable |