Pubchem ID | 62374 |
---|---|
CAS | 1125-21-9 |
IUPAC name | 2,6,6-trimethylcyclohex-2-ene-1,4-dione |
Synonyms | 4-Oxoisophorone|2,6,6-Trimethyl-2-cyclohexene-1,4-dione|2,6,6-Trimethylcyclohex-2-ene-1,4-dione|4-Ketoisophorone|Oxopholone|keto-Isophorone|Oxophorone |
Categories | Flavor enhancer |
SMILES | CC1=CC(=O)CC(C1=O)(C)C |
InCheykey | InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
152.193 | 0 | 2 | 0 | 34.1 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | Binder | 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 |