| Pubchem ID | 61010 |
|---|---|
| CAS | 104-64-3 |
| IUPAC name | 3-phenylpropyl formate |
| Synonyms | Hydrocinnamyl formate|Benzenepropanol, 1-formate|3-Phenyl-1-propyl formate|Hydrocinnamyl methanoate|gamma-Phenylpropylformate|3-Phenylpropyl methanoate|gamma-Phenylpropyl formate|Phenylpropyl formate |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C(C=C1)CCCOC=O |
| InCheykey | InChI=1S/C10H12O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 164.204 | 0 | 2 | 5 | 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 |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |