| Pubchem ID | 7146 |
|---|---|
| CAS | 93-53-8 |
| IUPAC name | 2-phenylpropanal |
| Synonyms | 2-Phenylpropanal|Hydratropaldehyde|2-Phenylpropionaldehyde|Hydratropic aldehyde|Hyacinthal|Cumene aldehyde|Hydratropa aldehyde|Hydrotropic aldehyde|2-Phenyl-1-propanal|dl-2-Phenylpropionaldehyde |
| Categories | Flavor enhancer |
| SMILES | CC(C=O)C1=CC=CC=C1 |
| InCheykey | InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3 |
| 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 |
|---|---|---|---|---|
| 134.178 | 0 | 1 | 2 | 17.1 |
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 | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Non-Degradable |