Pubchem ID | 62539 |
---|---|
CAS | 4437-51-8 |
IUPAC name | hexane-3,4-dione |
Synonyms | hexane-3,4-dione|Bipropionyl|Dipropionyl|Diethyl diketone|3,4-hexane dione|UNII-4M4NPR5VGD|3,4-hexandione|FEMA No. 3168 |
Categories | Flavor enhancer |
SMILES | CCC(=O)C(=O)CC |
InCheykey | InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
114.144 | 0 | 2 | 3 | 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 | Medium | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |