| Pubchem ID | 5355414 |
|---|---|
| CAS | 623-18-7 |
| IUPAC name | methyl (E)-3-(furan-2-yl)prop-2-enoate |
| Synonyms | Propionic acid, cinnamyl ester|3-Phenylallyl propionate|3-Phenyl-2-propenyl propionate|3-Phenyl-2-propen-1-yl propionate|gamma-Phenylallyl propionate|3-Phenyl-2-propen-1-ol propanoate|FEMA No. 2301|3-Phenyl-2-propenyl propanoate |
| Categories | Flavor enhancer |
| SMILES | COC(=O)C=CC1=CC=CO1 |
| InCheykey | InChI=1S/C8H8O3/c1-10-8(9)5-4-7-3-2-6-11-7/h2-6H,1H3/b5-4+ |
| 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 |
|---|---|---|---|---|
| 152.149 | 0 | 3 | 3 | 39.4 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Weaker / Non binder | Medium | 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 | Degradable |