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 | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
170.296 | 0 | 1 | 8 | 17.1 |
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 |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |