| Pubchem ID | 13561 |
|---|---|
| CAS | 927-49-1 |
| IUPAC name | undecan-6-one |
| Synonyms | Undecan-6-one|927-49-1|Diamyl ketone|Dipentyl ketone|Amyl ketone|Pentyl ketone|Ketones, C11|6-Oxoundecane|Di-N-amyl ketone|(C11) Ketones |
| Categories | Flavor enhancer |
| SMILES | CCCCCC(=O)CCCCC |
| InCheykey | InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 170.296 | 0 | 1 | 8 | 17.1 |
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 | Very High | 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 | Irritant | Degradable |