| Pubchem ID | 71587874 |
|---|---|
| CAS | 930587-76-1 |
| IUPAC name | (4-formyl-2-methoxyphenyl) 2-hydroxypropanoate |
| Synonyms | 4-Formyl-2-methoxyphenyl 2-hydroxypropanoate |
| Categories | Flavor enhancer |
| SMILES | CC(C(=O)OC1=C(C=C(C=C1)C=O)OC)O |
| InCheykey | InChI=1S/C11H12O5/c1-7(13)11(14)16-9-4-3-8(6-12)5-10(9)15-2/h3-7,13H,1-2H3 |
| 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 |
|---|---|---|---|---|
| 224.212 | 1 | 5 | 5 | 72.8 |
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 |