Pubchem ID | 8051 |
---|---|
CAS | 110-43-0 |
IUPAC name | heptan-2-one |
Synonyms | Heptan-2-one|Butylacetone|Methyl pentyl ketone|Methyl amyl ketone|n-Amyl methyl ketone|Methyl n-amyl ketone|Amyl methyl ketone|Heptanone|n-Pentyl methyl ketone|Pentyl methyl ketone|Methyl n-pentyl ketone |
Categories | Flavor enhancer |
SMILES | CCCCCC(=O)C |
InCheykey | InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/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 | Weaker / Non binder | High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |