| Pubchem ID | 10947 |
|---|---|
| CAS | 541-91-3 |
| IUPAC name | 3-methylcyclopentadecan-1-one |
| Synonyms | 3-Methylcyclopentadecanone|3-Methylcyclopentadecan-1-one|Methylexaltone|Cyclopentadecanone, 3-methyl-|Moschus ketone|3-Methyl-1-cyclopentadecanone|5-Methyl-1-cyclopentadecanone|(+/-)-Muscone|FEMA No. 3434 |
| Categories | Flavor enhancer |
| SMILES | CC1CCCCCCCCCCCCC(=O)C1 |
| InCheykey | InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3 |
| 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 |
|---|---|---|---|---|
| 238.415 | 0 | 1 | 0 | 17.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Very 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 |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |