| Pubchem ID | 71587144 |
|---|---|
| CAS | 39252-05-6 |
| IUPAC name | furan-2-ylmethyl decanoate |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CCCCCCCCCC(=O)OCC1=CC=CO1 |
| InCheykey | InChI=1S/C15H24O3/c1-2-3-4-5-6-7-8-11-15(16)18-13-14-10-9-12-17-14/h9-10,12H,2-8,11,13H2,1H3 |
| 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 |
|---|---|---|---|---|
| 252.354 | 0 | 3 | 11 | 39.4 |
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 |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |