| Pubchem ID | 61359 |
|---|---|
| CAS | 4395-92-0 |
| IUPAC name | 2-(4-propan-2-ylphenyl)acetaldehyde |
| Synonyms | Cortexal|(4-Isopropylphenyl)acetaldehyde|Cumylacetaldehyde|Benzeneacetaldehyde, 4-(1-methylethyl)-|Cumyl acetaldehyde|Cuminic acetaldehyde|P-Cymene-7-carboxaldehyde|p-Isopropylphenylacetaldehyde|4-Isopropyl phenylacetaldehyde|2-[4-(propan-2-yl)phenyl]acetaldehyde |
| Categories | Flavor enhancer |
| SMILES | CC(C)C1=CC=C(C=C1)CC=O |
| InCheykey | InChI=1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 162.232 | 0 | 1 | 3 | 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 | 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 |