| Pubchem ID | 8167 |
|---|---|
| CAS | 112-17-4 |
| IUPAC name | decyl acetate |
| Synonyms | n-Decyl acetate|Acetic acid, decyl ester|n-Decyl ethanoate|1-Decanol acetate|Decyl ethanoate|Acetate C 10|Decanyl acetate|1-Decyl acetate|Acetic Acid n-Decyl Ester|Decanol acetate |
| Categories | Flavor enhancer |
| SMILES | CCCCCCCCCCOC(=O)C |
| InCheykey | InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 200.322 | 0 | 2 | 10 | 26.3 |
ADME Predicted Parameters
| 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 | 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 |