| Pubchem ID | 78484 |
|---|---|
| CAS | 4747-07-3 |
| IUPAC name | 1-methoxyhexane |
| Synonyms | 1-Methoxyhexane|Hexyl methyl ether|Hexane, 1-methoxy-|Methyl hexyl ether |
| Categories | Flavor enhancer |
| SMILES | CCCCCCOC |
| InCheykey | InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 116.204 | 0 | 1 | 5 | 9.2 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Binder | High | 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 | Non-Irritant | Non-Irritant | Degradable |