| Pubchem ID | 82664 |
|---|---|
| CAS | 10484-56-7 |
| IUPAC name | 2-butoxynaphthalene |
| Synonyms | 2-Butoxynaphthalene|Naphthalene, 2-butoxy-|Butyl beta-naphthyl ether|Butyl 2-naphthyl ether |
| Categories | Flavor enhancer |
| SMILES | CCCCOC1=CC2=CC=CC=C2C=C1 |
| InCheykey | InChI=1S/C14H16O/c1-2-3-10-15-14-9-8-12-6-4-5-7-13(12)11-14/h4-9,11H,2-3,10H2,1H3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 200.281 | 0 | 1 | 4 | 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 | Low Solubility | Binder | Very High | Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Non-Degradable |