| Pubchem ID | 517637 |
|---|---|
| CAS | 19224-26-1 |
| IUPAC name | 2-benzoyloxypropyl benzoate |
| Synonyms | Propane-1,2-diyl dibenzoate|1,2-Propanediol dibenzoate|1,2-Propanediol, dibenzoate|1,2-Propanediol, 1,2-dibenzoate|Propyleneglycol dibenzoate|2-(Benzoyloxy)propyl benzoate|FEMA No. 3419 |
| Categories | Flavor enhancer |
| SMILES | CC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2 |
| InCheykey | InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 284.311 | 0 | 4 | 7 | 52.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Low Solubility | Binder | High | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |