| Pubchem ID | 12146 |
|---|---|
| CAS | 622-45-7 |
| IUPAC name | cyclohexyl acetate |
| Synonyms | Acetic acid, cyclohexyl ester|Hexalin acetate|Cyclohexanyl acetate|Cyclohexanol, acetate|Cyclohexanolazetat|Adronal acetate|Cyclohexane acetate|Acetic Acid Cyclohexyl Ester|Cyclohexylester kyseliny octove |
| Categories | Flavor enhancer |
| SMILES | CC(=O)OC1CCCCC1 |
| InCheykey | InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3 |
| 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 |
|---|---|---|---|---|
| 142.198 | 0 | 2 | 2 | 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 | Weaker / Non 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 | Non-Irritant | Non-Irritant | Degradable |