| Pubchem ID | 9942315 |
|---|---|
| CAS | 134359-15-2 |
| IUPAC name | 5-methyl-5-(4-methylpent-3-enyl)oxolan-2-one |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(=CCCC1(CCC(=O)O1)C)C |
| InCheykey | InChI=1S/C11H18O2/c1-9(2)5-4-7-11(3)8-6-10(12)13-11/h5H,4,6-8H2,1-3H3 |
| 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 |
|---|---|---|---|---|
| 182.263 | 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 |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |