| Pubchem ID | 70700532 |
|---|---|
| CAS | 203719-54-4 |
| IUPAC name | (4R)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane |
| Synonyms | - |
| Categories | Flavor enhancer |
| SMILES | CC(C)C1CCC2(C(C1)O2)C |
| InCheykey | InChI=1S/C10H18O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h7-9H,4-6H2,1-3H3/t8-,9?,10?/m1/s1 |
| 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 |
|---|---|---|---|---|
| 154.253 | 0 | 1 | 1 | 12.5 |
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 | Weaker / Non binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |