| Pubchem ID | 5354280 |
|---|---|
| CAS | 94-86-0 |
| IUPAC name | 2-ethoxy-5-[(E)-prop-1-enyl]phenol |
| Synonyms | Vanitrope|Isosafroeugenol|2-Ethoxy-5-(1-propenyl)phenol|6-Ethoxy-m-anol|2-Ethoxy-5-propenylphenol|2-Ethoxy-5-prop-1-enylphenol|Hydroxy methyl anethol|Propenyl guaethol|5-propenylguaethol|Hydroxymethyl anethole|Phenol, 2-ethoxy-5-propenyl- |
| Categories | Flavor enhancer |
| SMILES | CCOC1=C(C=C(C=C1)C=CC)O |
| InCheykey | InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+ |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 178.231 | 1 | 2 | 3 | 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 | Non-Irritant | Irritant | Irritant | Degradable |