| Pubchem ID | 8815 |
|---|---|
| CAS | 140-67-0 |
| IUPAC name | 1-methoxy-4-prop-2-enylbenzene |
| Synonyms | 4-Allylanisole|1-Allyl-4-methoxybenzene|p-Allylanisole|Methyl chavicol|Tarragon|Estragol|Chavicol methyl ether|Isoanethole|Esdragon|Esdragole|Esdragol|Anisole, p-allyl-|4-Methoxyallylbenzene|Terragon|p-Methoxyallylbenzene|4-Allylmethoxybenzene|4-Allyl-1-methoxybenzene |
| Categories | Flavor enhancer |
| SMILES | COC1=CC=C(C=C1)CC=C |
| InCheykey | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 |
| 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 |
|---|---|---|---|---|
| 148.205 | 0 | 1 | 3 | 9.2 |
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 | Binder | High | 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 |