| Pubchem ID | 61319 |
|---|---|
| CAS | 2408-20-0 |
| IUPAC name | prop-2-enyl propanoate |
| Synonyms | Allyl propanoate|Propanoic acid, 2-propenyl ester|Propionic acid, allyl ester|2-Propenyl propanoate|prop-2-en-1-yl propanoate|Allyl n-propionate|Propanoic acid, 2-propen-1-yl ester |
| Categories | Flavor enhancer |
| SMILES | CCC(=O)OCC=C |
| InCheykey | InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 114.144 | 0 | 2 | 4 | 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 | Optimal Solubility | Weaker / Non binder | Medium | 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 | Non-Irritant | Non-Irritant | Degradable |