| Pubchem ID | 5354883 |
|---|---|
| CAS | 104-65-4 |
| IUPAC name | [(E)-3-phenylprop-2-enyl] formate |
| Synonyms | Cinnamyl methanoate|Formic acid, cinnamyl ester|3-Phenylallyl formate|3-Phenyl-2-propen-1-yl formate|gamma-Phenylallyl formate|FEMA No. 2299|3-Phenyl-2-propenyl formate| |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C(C=C1)C=CCOC=O |
| InCheykey | InChI=1S/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2/b7-4+ |
| 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 |
|---|---|---|---|---|
| 162.188 | 0 | 2 | 4 | 26.3 |
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 |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |