Pubchem ID | 6669 |
---|---|
CAS | 81-14-1 |
IUPAC name | 1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone |
Synonyms | 4'-tert-Butyl-2',6'-dimethyl-3',5'-dinitroacetophenone|1-(4-tert-Butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone|Ketone moschus|Ketone musk|2-Acetyl-5-tert-butyl-4,6-dinitroxylene |
Categories | Flavor enhancer |
SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C |
InCheykey | InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
294.307 | 0 | 5 | 2 | 109.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | Undefined | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |