| Pubchem ID | 180 |
|---|---|
| CAS | 67-64-1 |
| IUPAC name | propan-2-one |
| Synonyms | 2-propanone|propanone|Dimethyl ketone|propan-2-one|Methyl ketone|Pyroacetic ether|Dimethylformaldehyde|beta-Ketopropane|Dimethylketal|Chevron acetone|Ketone propane|Aceton|Pyroacetic acid|Ketone, dimethyl|dimethylketone|Acetone |
| Categories | Flavor enhancer |
| SMILES | CC(=O)C |
| InCheykey | InChI=1S/C3H6O/c1-3(2)4/h1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 58.08 | 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 | Undefined | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |