| Pubchem ID | 17739 |
|---|---|
| CAS | 2785-87-7 |
| IUPAC name | 2-methoxy-4-propylphenol |
| Synonyms | Dihydroeugenol|4-Propylguaiacol|Guaiacylpropane|Cerulignol|Coerulignol|p-Propylguaiacol|Phenol, 2-methoxy-4-propyl-|p-n-Propylguaiacol|4-Propyl-2-methoxyphenol|(4-Hydroxy-3-methoxyphenyl)propane |
| Categories | Flavor enhancer |
| SMILES | CCCC1=CC(=C(C=C1)O)OC |
| InCheykey | InChI=1S/C10H14O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,3-4H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 166.22 | 1 | 2 | 3 | 29.5 |
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 |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |