Pubchem ID | 12578 |
---|---|
CAS | 645-13-6 |
IUPAC name | 1-(4-propan-2-ylphenyl)ethanone |
Synonyms | 4'-Isopropylacetophenone|p-Isopropylacetophenone|Cuminone|1-(4-Isopropylphenyl)ethanone|Ethanone, 1-[4-(1-methylethyl)phenyl]-|Acetophenone, 4'-isopropyl- |
Categories | Flavor enhancer |
SMILES | CC(C)C1=CC=C(C=C1)C(=O)C |
InCheykey | InChI=1S/C11H14O/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-8H,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 |
---|---|---|---|---|
162.232 | 0 | 1 | 2 | 17.1 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | Binder | High | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |