| Pubchem ID | 61417 |
|---|---|
| CAS | 7549-33-9 |
| IUPAC name | (4-methoxyphenyl)methyl propanoate |
| Synonyms | p-Methoxybenzyl propionate|Benzenemethanol, 4-methoxy-, propanoate|(4-methoxyphenyl)methyl propanoate|Benzyl alcohol, P-methoxy-, propionate|4-Methoxybenzenemethyl propanoate |
| Categories | Flavor enhancer |
| SMILES | CCC(=O)OCC1=CC=C(C=C1)OC |
| InCheykey | InChI=1S/C11H14O3/c1-3-11(12)14-8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 194.23 | 0 | 3 | 5 | 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 | Slightly Soluble | 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 | Non-Irritant | Degradable |