| Pubchem ID | 61229 |
|---|---|
| CAS | 881-68-5 |
| IUPAC name | (4-formyl-2-methoxyphenyl) acetate |
| Synonyms | 4-Formyl-2-methoxyphenyl acetate|4-Acetoxy-3-methoxybenzaldehyde|Acetylvanillin|Acetovanillin|Vanillin, acetate|4-O-Acetylvanillin|O-Acetylvanillin |
| Categories | Flavor enhancer |
| SMILES | CC(=O)OC1=C(C=C(C=C1)C=O)OC |
| InCheykey | InChI=1S/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,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 |
|---|---|---|---|---|
| 194.186 | 0 | 4 | 4 | 52.6 |
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 | Low | 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 |