| Pubchem ID | 8797 |
|---|---|
| CAS | 140-39-6 |
| IUPAC name | (4-methylphenyl) acetate |
| Synonyms | p-Cresyl acetate|4-Tolyl acetate|Acetic acid, 4-methylphenyl ester|4-Methylphenyl acetate|p-Acetoxytoluene|p-Cresol acetate|4-Acetoxytoluene|Narceol|Cresyl acetate|p-Tolyl ethanoate|Paracresyl acetate|Acetic acid, p-tolyl ester |
| Categories | Flavor enhancer |
| SMILES | CC1=CC=C(C=C1)OC(=O)C |
| InCheykey | InChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,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 |
|---|---|---|---|---|
| 150.177 | 0 | 2 | 2 | 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 | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |