| Pubchem ID | 31242 |
|---|---|
| CAS | 123-07-9 |
| IUPAC name | 4-ethylphenol |
| Synonyms | Phenol, 4-ethyl-|1-Ethyl-4-hydroxybenzene|Phenol, p-ethyl-|para-Ethylphenol|1-Hydroxy-4-ethylbenzene|4-Hydroxyphenylethane|4-ethyl-phenol|4-Hydroxyethylbenzene|Paraethylphenol |
| Categories | Flavor enhancer |
| SMILES | CCC1=CC=C(C=C1)O |
| InCheykey | InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/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 |
|---|---|---|---|---|
| 122.167 | 1 | 1 | 1 | 20.2 |
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 | Weaker / Non 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 |