| Pubchem ID | 61634 |
|---|---|
| CAS | 8028-89-5 |
| IUPAC name | 3,5-dimethylcyclopentane-1,2-dione |
| Synonyms | 3,5-Dimethyl-1,2-cyclopentanedione|3,5-Dimethyl-1,2-cyclopentadione|3,5-Dimethylcyclopentane-1,2-dione|1,2-Cyclopentanedione, 3,5-dimethyl-|W-108275|FEMA No. 3269 |
| Categories | Color |
| SMILES | CC1CC(C(=O)C1=O)C |
| InCheykey | InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3 |
| Natural | nan |
| E No. | E150 |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 126.155 | 0 | 2 | 0 | 34.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Binder | Medium | 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 |