| Pubchem ID | 61054 |
|---|---|
| CAS | 122-91-8 |
| IUPAC name | (4-methoxyphenyl)methyl formate |
| Synonyms | 4-Methoxybenzyl formate|p-Methoxybenzyl formate|Anisyl alcohol, formate|Anisyl methanoate|(4-methoxyphenyl)methyl formate|p-Methoxybenzyl alcohol, formate|p-Anisyl format |
| Categories | Flavor enhancer |
| SMILES | COC1=CC=C(C=C1)COC=O |
| InCheykey | InChI=1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3 |
| 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 |
|---|---|---|---|---|
| 166.176 | 0 | 3 | 4 | 35.5 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Optimal Solubility | Binder | Medium | 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 | Degradable |