| Pubchem ID | 26447 |
|---|---|
| CAS | 89-80-5 |
| IUPAC name | (2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one |
| Synonyms | (-)-Menthone|(2S,5R)-2-isopropyl-5-methylcyclohexanone|p-Menthone|trans-Menthone|L-Menthan-3-one|Neomenthone|Menthone racemic|p-Menthan-3-one|trans-p-Menthan-3-one |
| Categories | Flavor enhancer |
| SMILES | CC1CCC(C(=O)C1)C(C)C |
| InCheykey | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1 |
| 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 |
|---|---|---|---|---|
| 154.253 | 0 | 1 | 1 | 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 | Irritant | Degradable |