| Pubchem ID | 332 |
|---|---|
| CAS | 7786-61-0 |
| IUPAC name | 4-ethenyl-2-methoxyphenol |
| Synonyms | 2-Methoxy-4-vinylphenol|4-vinylguaiacol|4-Hydroxy-3-methoxystyrene|p-Vinylguaiacol|Phenol, 4-ethenyl-2-methoxy-|para-vinylguaiacol|o-methoxy-p-vinylphenol|p-Vinyl guaiacol|4-vinyl-2-methoxyphenol|4-Hydroxy-3-methoxyvinylbenzene|Guaiacol, 4-vinyl-|Phenol, 2-methoxy-4-vinyl- |
| Categories | Flavor enhancer |
| SMILES | COC1=C(C=CC(=C1)C=C)O |
| InCheykey | InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3 |
| 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 |
|---|---|---|---|---|
| 150.177 | 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 | 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 | Degradable |