| Pubchem ID | 61982 |
|---|---|
| CAS | 38462-22-5 |
| IUPAC name | 5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-one |
| Synonyms | p-Mentha-8-thiol-3-one|8-Mercaptomenthone|8-Mercapto-p-menthan-3-one|8-Mercapto-p-menthane-3-one |
| Categories | Flavor enhancer |
| SMILES | CC1CCC(C(=O)C1)C(C)(C)S |
| InCheykey | InChI=1S/C10H18OS/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3 |
| 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 |
|---|---|---|---|---|
| 186.313 | 1 | 2 | 1 | 18.1 |
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 | Weaker / Non binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |