| Pubchem ID | 637520 |
|---|---|
| CAS | 103-26-4 |
| IUPAC name | methyl (E)-3-phenylprop-2-enoate |
| Synonyms | Methyl trans-cinnamate|Methyl (E)-cinnamate|Cinnamic acid methyl ester|Methyl cinnamylate|Methyl 3-phenylacrylate|Methyl 3-phenylpropenoate|trans-Cinnamic acid methyl ester|trans-Methyl cinnamate |
| Categories | Flavor enhancer |
| SMILES | COC(=O)C=CC1=CC=CC=C1 |
| InCheykey | InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+ |
| 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 | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |