| Pubchem ID | 12813 |
|---|---|
| CAS | 706-14-9 |
| IUPAC name | 5-hexyloxolan-2-one |
| Synonyms | 4-Decanolide|Decan-4-olide|5-hexyldihydrofuran-2(3H)-one|2(3H)-Furanone, 5-hexyldihydro-|5-Hexyldihydro-2(3H)-furanone|5-hexyloxolan-2-one|Decanolide-1,4|2-Decalactone|4-Hexyl-4-butanolide|5-Hexyltetrahydro-2-furanone |
| Categories | Flavor enhancer |
| SMILES | CCCCCCC1CCC(=O)O1 |
| InCheykey | InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3 |
| 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 |
|---|---|---|---|---|
| 170.252 | 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 | 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 |