| Pubchem ID | 7710 |
|---|---|
| CAS | 104-61-0 |
| IUPAC name | 5-pentyloxolan-2-one |
| Synonyms | gamma-Nonanolactone|5-pentyldihydrofuran-2(3H)-one|2(3H)-Furanone, dihydro-5-pentyl-|gamma-Nonanolide|Prunolide|4-Nonanolide|5-pentyloxolan-2-one|Nonan-4-olide|1,4-Nonalolide |
| Categories | Flavor enhancer |
| SMILES | CCCCCC1CCC(=O)O1 |
| InCheykey | InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3 |
| 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 |
|---|---|---|---|---|
| 156.225 | 0 | 2 | 4 | 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 |