Pubchem ID | 8785 |
---|---|
CAS | 140-11-4 |
IUPAC name | benzyl acetate |
Synonyms | Acetic acid benzyl ester|Acetic acid, phenylmethyl ester|Benzyl ethanoate|Phenylmethyl acetate|Acetic acid, benzyl ester|alpha-Acetoxytoluene|Phenylmethyl ethanoate |
Categories | Flavor enhancer |
SMILES | CC(=O)OCC1=CC=CC=C1 |
InCheykey | InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | 0-5 mg/kg bw |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
150.177 | 0 | 2 | 3 | 26.3 |
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 |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |