| Pubchem ID | 61835 |
|---|---|
| CAS | 16429-21-3 |
| IUPAC name | 7-hexyloxepan-2-one |
| Synonyms | 7-Hexyloxepan-2-one|epsilon-Dodecalactone|2-Oxepanone, 7-hexyl-|7-Hexyl-2-oxepanone|6-Hexylhexanolide|6-Hydroxydodecanoic acid epsilon-lactone|epsilon-Hydroxydodecanoic acid lactone|FEMA No. 3610 |
| Categories | Flavor enhancer |
| SMILES | CCCCCCC1CCCCC(=O)O1 |
| InCheykey | InChI=1S/C12H22O2/c1-2-3-4-5-8-11-9-6-7-10-12(13)14-11/h11H,2-10H2,1H3 |
| 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 |
|---|---|---|---|---|
| 198.306 | 0 | 2 | 5 | 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 | 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 |