Pubchem ID | 11747 |
---|---|
CAS | 600-14-6 |
IUPAC name | pentane-2,3-dione |
Synonyms | Acetylpropionyl|Acetyl propionyl|2,3-Pentadione|Acetylpropionyl (VAN)|Acetyl propionyl (natural)|Pentan-2,3-dione|2,3-pentane-dione|ethyl methyl diketone|FEMA No. 2841 |
Categories | Flavor enhancer |
SMILES | CCC(=O)C(=O)C |
InCheykey | InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
100.117 | 0 | 2 | 2 | 34.1 |
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 | Low | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |