| Pubchem ID | 24117 |
|---|---|
| CAS | 7493-74-5 |
| IUPAC name | prop-2-enyl 2-phenoxyacetate |
| Synonyms | Allyl 2-phenoxyacetate|Acetic acid, phenoxy-, 2-propenyl ester|Acetate P.A.|Acetate pa|Phenoxyacetic Acid Allyl Ester|2-Propenyl phenoxyacetate|Acetate P.A|FEMA No. 2038|allyl phenoxy acetate |
| Categories | Flavor enhancer |
| SMILES | C=CCOC(=O)COC1=CC=CC=C1 |
| InCheykey | InChI=1S/C11H12O3/c1-2-8-13-11(12)9-14-10-6-4-3-5-7-10/h2-7H,1,8-9H2 |
| Natural | nan |
| 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 |
|---|---|---|---|---|
| 192.214 | 0 | 3 | 6 | 35.5 |
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 | 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 | Irritant | Degradable |