Pubchem ID | 7802 |
---|---|
CAS | 106-35-4 |
IUPAC name | heptan-3-one |
Synonyms | Heptan-3-one|Butyl ethyl ketone|n-Butyl ethyl ketone|Ethylbutylcetone|Aethylbutylketon|Ethyl n-butyl ketone|Ethylbutylketon|Etilbutilchetone|Eptan-3-one|Ethyl-n-butyl ketone |
Categories | Flavor enhancer |
SMILES | CCCCC(=O)CC |
InCheykey | InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
114.188 | 0 | 1 | 4 | 17.1 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | 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 | Non-Irritant | Irritant | Degradable |