| Pubchem ID | 135301067 |
|---|---|
| CAS | 8015-97-2 |
| IUPAC name | 3-hydroxy-2-(3-methylbutoxy)-3H-isoindol-1-one |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(C)CCON1C(C2=CC=CC=C2C1=O)O |
| InCheykey | InChI=1S/C13H17NO3/c1-9(2)7-8-17-14-12(15)10-5-3-4-6-11(10)13(14)16/h3-6,9,12,15H,7-8H2,1-2H3 |
| 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 |
|---|---|---|---|---|
| 235.283 | 1 | 3 | 4 | 49.8 |
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 | Medium | Non - Inhibitor | Non Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |