| Pubchem ID | 17617 |
|---|---|
| CAS | 2705-87-5 |
| IUPAC name | prop-2-enyl 3-cyclohexylpropanoate |
| Synonyms | Allyl 3-cyclohexylpropanoate|Allyl cyclohexanepropionate|Allyl cyclohexylpropionate|Allyl 3-cyclohexylpropionate|Cyclohexanepropanoic acid, 2-propenyl ester|3-Allylcyclohexyl propionate|Allyl hexahydrophenylpropionate |
| Categories | Flavor enhancer |
| SMILES | C=CCOC(=O)CCC1CCCCC1 |
| InCheykey | InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2 |
| Natural | nan |
| 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 |
|---|---|---|---|---|
| 196.29 | 0 | 2 | 6 | 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 | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |