| Pubchem ID | 876160 |
|---|---|
| CAS | 93-29-8 |
| IUPAC name | [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate |
| Synonyms | Acetylisoeugenol|Isoeugenyl acetate|Isoeugenol acetate|Acetisoeugenol|Isoeugenol, acetate|Acetyl isoeugenol |
| Categories | Flavor enhancer |
| SMILES | CC=CC1=CC(=C(C=C1)OC(=O)C)OC |
| InCheykey | InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+ |
| 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 |
|---|---|---|---|---|
| 206.241 | 0 | 3 | 4 | 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 | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |