| Pubchem ID | 5355293 |
|---|---|
| CAS | 28645-51-4 |
| IUPAC name | (10Z)-1-oxacycloheptadec-10-en-2-one |
| Synonyms | Oxacycloheptadec-10-en-2-one|(Z)-isoambrettolide|Cis-isoambrettolide|Isoambrettolide, (Z)-|FEMA No. 2555|omega-6-Hexadecenlactone |
| Categories | Flavor enhancer |
| SMILES | C1CCCC=CCCCCCCOC(=O)CCC1 |
| InCheykey | InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2/b3-1- |
| 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 |
|---|---|---|---|---|
| 252.398 | 0 | 2 | 0 | 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 | Low Solubility | Binder | Very 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 |