| Pubchem ID | 12570 |
|---|---|
| CAS | 644-35-9 |
| IUPAC name | 2-propylphenol |
| Synonyms | 2-n-Propylphenol|o-Propylphenol|Phenol, 2-propyl-|Phenol, o-propyl-|1-Hydroxy-2-n-propylbenzene|1-(2-Hydroxyphenyl)propane|propylphenol|o-n-Propylphenol|2-propyl-phenol|1-Hydroxy-2-propylbenzene |
| Categories | Flavor enhancer |
| SMILES | CCCC1=CC=CC=C1O |
| InCheykey | InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3 |
| 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 |
|---|---|---|---|---|
| 136.194 | 1 | 1 | 2 | 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 |