| Pubchem ID | 326 |
|---|---|
| CAS | 122-03-2 |
| IUPAC name | 4-propan-2-ylbenzaldehyde |
| Synonyms | 4-isopropylbenzaldehyde|cuminaldehyde|cuminic aldehyde|cumaldehyde|cuminal|p-cumic aldehyde|Cumic aldehyde|Benzaldehyde, 4-(1-methylethyl)-|Cuminyl aldehyde|p-Isopropylbenzenecarboxaldehyde|4-(1-Methylethyl)benzaldehyde|Benzaldehyde, p-isopropyl-|P-isopropyl benzaldehyde|p-Cuminic aldehyde|4-(Propan-2-Yl)Benzaldehyde|4-(Methylethyl)benzaldehyde|4-Isopropylbenzenecarboxylate|4-Isopropyl-benzaldehyde |
| Categories | Flavor enhancer |
| SMILES | CC(C)C1=CC=C(C=C1)C=O |
| InCheykey | InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| 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 | Non-Irritant | Degradable |