| Pubchem ID | 73425517 |
|---|---|
| CAS | 929222-96-8 |
| IUPAC name | (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) hexadecanoate |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1CC(CC=C1C)C(=C)C |
| InCheykey | InChI=1S/C26H46O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(27)28-25-21-24(22(2)3)20-19-23(25)4/h19,24-25H,2,5-18,20-21H2,1,3-4H3 |
| 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 |
|---|---|---|---|---|
| 390.652 | 0 | 2 | 17 | 26.3 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Very Low Absorption | Very Low Solubility | Binder | Undefined | 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 | Non-Irritant | Non-Irritant | Degradable |