| Pubchem ID | 8452 |
|---|---|
| CAS | 120-92-3 |
| IUPAC name | cyclopentanone |
| Synonyms | Adipic ketone|Ketocyclopentane|Ketopentamethylene|Dumasin|Adipinketon|cyclopentan-1-one|oxocyclopentane|cyclopentanon |
| Categories | Flavor enhancer |
| SMILES | C1CCC(=O)C1 |
| InCheykey | InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2 |
| 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 |
|---|---|---|---|---|
| 84.118 | 0 | 1 | 0 | 17.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Optimal Solubility | Weaker / Non binder | Medium | 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 | Irritant | Degradable |