| Pubchem ID | 68148 |
|---|---|
| CAS | 501-92-8 |
| IUPAC name | 4-prop-2-enylphenol |
| Synonyms | Chavicol|p-Allylphenol|p-Hydroxyallylbenzene|Phenol, 4-(2-propenyl)-|4-prop-2-enylphenol|p-Chavicol|Phenol, p-allyl- |
| Categories | Flavor enhancer |
| SMILES | C=CCC1=CC=C(C=C1)O |
| InCheykey | InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2 |
| 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 |
|---|---|---|---|---|
| 134.178 | 1 | 1 | 2 | 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 |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |