| Pubchem ID | 16441 |
|---|---|
| CAS | 2111-75-3 |
| IUPAC name | 4-prop-1-en-2-ylcyclohexene-1-carbaldehyde |
| Synonyms | Perillyl aldehyde|Perilla aldehyde|Perillal|Perillic aldehyde|P-Mentha-1,8-dien-7-al|Dihydrocuminyl aldehyde|1-Perillaldehyde|l-Perillaldehyde|para-Mentha-1,8-dien-7-al|Perillylaldehyde |
| Categories | Flavor enhancer |
| SMILES | CC(=C)C1CCC(=CC1)C=O |
| InCheykey | InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3 |
| 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 |
|---|---|---|---|---|
| 150.221 | 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 |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |