| Pubchem ID | 641298 |
|---|---|
| CAS | 1504-74-1 |
| IUPAC name | (E)-3-(2-methoxyphenyl)prop-2-enal |
| Synonyms | 2-Methoxycinnamaldehyde|o-Methoxycinnamic aldehyde|(E)-3-(2-Methoxyphenyl)acrylaldehyde|2'-Methoxycinnamaldehyde|2-Propenal, 3-(2-methoxyphenyl)-|Ortho-Methoxycinnamaldehyde|2-Methoxycin |
| Categories | Flavor enhancer |
| SMILES | COC1=CC=CC=C1C=CC=O |
| InCheykey | InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3/b6-4+ |
| 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 |
|---|---|---|---|---|
| 162.188 | 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 | Mutagen | Irritant | Irritant | Irritant | Degradable |