| Pubchem ID | 62583 |
|---|---|
| CAS | 5579-78-2 |
| IUPAC name | 7-butyloxepan-2-one |
| Synonyms | 7-Butyloxepan-2-one|7-Butyl-2-oxepanone|2-OXEPANONE, 7-BUTYL-|6-Butylhexanolide|e-decalactone|6-decanolide|6-Hydroxydecanoic acid epsilon-lactone|FEMA No. 3613 |
| Categories | Flavor enhancer |
| SMILES | CCCCC1CCCCC(=O)O1 |
| InCheykey | InChI=1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3 |
| Natural | nan |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 170.252 | 0 | 2 | 3 | 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 | 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 |