Pubchem ID | 2345 |
---|---|
CAS | 120-51-4 |
IUPAC name | benzyl benzoate |
Synonyms | Benzoic acid, phenylmethyl ester|Ascabiol|Benylate|Novoscabin|Benzoic acid benzyl ester|Scobenol|Scabitox|Ascabin|Benzyl phenylformate|Phenylmethyl benzoate |
Categories | Flavor enhancer |
SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2 |
InCheykey | InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2 |
Natural | YES |
E No. | - |
GHS Siginal | Warning |
ADI Value | 0-5 mg/kg bw |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
212.248 | 0 | 2 | 4 | 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 |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |