| Pubchem ID | 24834 |
|---|---|
| CAS | 10031-82-0 |
| IUPAC name | 4-ethoxybenzaldehyde |
| Synonyms | Iron(III) sulfate|Iron persulfate|Iron tersulfate|Diiron tris(sulphate)|Ferric persulfate|Diiron trisulfate|Ferric tersulfate |
| Categories | Flavor enhancer |
| SMILES | CCOC1=CC=C(C=C1)C=O |
| InCheykey | InChI=1S/C9H10O2/c1-2-11-9-5-3-8(7-10)4-6-9/h3-7H,2H2,1H3 |
| 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 |
|---|---|---|---|---|
| 150.177 | 0 | 2 | 3 | 26.3 |
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 | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Non-Irritant | Non-Irritant | Irritant | Degradable |