| Pubchem ID | 16537 |
|---|---|
| CAS | 2153-26-6 |
| IUPAC name | 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate |
| 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 | CC1=CCC(CC1)C(C)(C)OC=O |
| InCheykey | InChI=1S/C11H18O2/c1-9-4-6-10(7-5-9)11(2,3)13-8-12/h4,8,10H,5-7H2,1-3H3 |
| 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 |
|---|---|---|---|---|
| 182.263 | 0 | 2 | 3 | 26.3 |
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 | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |