Pubchem ID | 7165 |
---|---|
CAS | 93-89-0 |
IUPAC name | ethyl benzoate |
Synonyms | Benzoic acid, ethyl ester|Benzoic ether|Ethyl benzenecarboxylate|Benzoic Acid Ethyl Ester|ethylbenzoate|Benzoyl ethyl ether|Ethyl benzoate |
Categories | Flavor enhancer |
SMILES | CCOC(=O)C1=CC=CC=C1 |
InCheykey | InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
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 | Binder | High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |