| Pubchem ID | 31231 |
|---|---|
| CAS | 122-84-9 |
| IUPAC name | 1-(4-methoxyphenyl)propan-2-one |
| Synonyms | 2-Propanone, 1-(4-methoxyphenyl)-|Anisketone|Anisyl methyl ketone|1-(4-methoxyphenyl)propan-2-one|p-Acetonylanisole|p-Methoxyphenylacetone|1-(p-Methoxyphenyl)-2-propanone|Anisic ketone |
| Categories | Flavor enhancer |
| SMILES | CC(=O)CC1=CC=C(C=C1)OC |
| InCheykey | InChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 164.204 | 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 | Weaker / Non binder | Medium | 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 | Non-Irritant | Irritant | Non-Irritant | Degradable |