| Pubchem ID | 60990 |
|---|---|
| CAS | 99-72-9 |
| IUPAC name | 2-(4-methylphenyl)propanal |
| Synonyms | 2-(4-methylphenyl)propanal|2-(p-Tolyl)propanal|4-Methylhydratropaldehyde|p-Methylhydratropaldehyde|2-p-Tolylpropanal|2-(p-Tolyl)propionaldehyde|2-p-tolylpropionaldehyde|Hydratropaldehyde p-methyl- |
| Categories | Flavor enhancer |
| SMILES | CC1=CC=C(C=C1)C(C)C=O |
| InCheykey | InChI=1S/C10H12O/c1-8-3-5-10(6-4-8)9(2)7-11/h3-7,9H,1-2H3 |
| 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 |
|---|---|---|---|---|
| 148.205 | 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 | Irritant | Degradable |