| Pubchem ID | 107 |
|---|---|
| CAS | 501-52-0 |
| IUPAC name | 3-phenylpropanoic acid |
| Synonyms | 3-Phenylpropanoic acid|3-phenylpropionic acid|Benzenepropanoic acid|Benzylacetic acid|Dihydrocinnamic acid|Benzenepropionic acid|Phenylpropanoate|3-Phenyl-propionic acid|Phenylpropanoic acid|3-Phenyl propionic acid|hydrocinnamat |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C(C=C1)CCC(=O)O |
| InCheykey | InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11) |
| 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 |
|---|---|---|---|---|
| 150.177 | 1 | 2 | 3 | 37.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Binder | Medium | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Non-Irritant | Irritant | Irritant | Degradable |