Pubchem ID | 5317045 |
---|---|
CAS | 14309-57-0 |
IUPAC name | (E)-non-3-en-2-one |
Synonyms | Trans-3-Nonen-2-one|(E)-Non-3-en-2-one |
Categories | Flavor enhancer |
SMILES | CCCCCC=CC(=O)C |
InCheykey | InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+ |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
140.226 | 0 | 1 | 5 | 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 | High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |