| Pubchem ID | 62378 |
|---|---|
| CAS | 1128-08-1 |
| IUPAC name | 3-methyl-2-pentylcyclopent-2-en-1-one |
| Synonyms | 3-Methyl-2-pentylcyclopent-2-enone|3-methyl-2-pentylcyclopent-2-en-1-one|Jasmone, dihydro-|2-Pentyl-3-methyl-2-cyclopenten-1-one |
| Categories | Flavor enhancer |
| SMILES | CCCCCC1=C(CCC1=O)C |
| InCheykey | InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 166.264 | 0 | 1 | 4 | 17.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | 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 | Irritant | Non-Irritant | Degradable |