| Pubchem ID | 10364 |
|---|---|
| CAS | 499-75-2 |
| IUPAC name | 2-methyl-5-propan-2-ylphenol |
| Synonyms | 5-Isopropyl-2-methylphenol|Isopropyl-o-cresol|Karvakrol|o-Thymol|Antioxine|5-Isopropyl-o-cresol|2-p-Cymenol|Phenol, 2-methyl-5-(1-methylethyl)-|2-Hydroxy-p-cymene|p-Cymen-2-ol |
| Categories | Flavor enhancer |
| SMILES | CC1=C(C=C(C=C1)C(C)C)O |
| InCheykey | InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 150.221 | 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 | 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 | Non-Degradable |