| Pubchem ID | 62465 |
|---|---|
| CAS | 2785-89-9 |
| IUPAC name | 4-ethyl-2-methoxyphenol |
| Synonyms | 4-Ethyl-2-methoxyphenol|4-Ethylguaiacol|p-Ethylguaiacol|2-Methoxy-4-ethylphenol|PHENOL, 4-ETHYL-2-METHOXY-|Homocresol|Guaiacyl ethane|4-ethyl-2-methoxy-phenol|4-Hydroxy-3-methoxy ethylbenzene |
| Categories | Flavor enhancer |
| SMILES | CCC1=CC(=C(C=C1)O)OC |
| InCheykey | InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 152.193 | 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 | 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 |