| Pubchem ID | 17100 |
|---|---|
| CAS | 98-55-5 |
| IUPAC name | 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol |
| Synonyms | Terpineol|98-55-5|2-(4-methylcyclohex-3-en-1-yl)propan-2-ol|p-Menth-1-en-8-ol|dl-alpha-Terpineol|1-p-Menthen-8-ol |
| Categories | Color |
| SMILES | CC1=CCC(CC1)C(C)(C)O |
| InCheykey | InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3 |
| 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 |
|---|---|---|---|---|
| 154.253 | 1 | 1 | 1 | 20.2 |
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 | Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |