Pubchem ID | 7410 |
---|---|
CAS | 98-86-2 |
IUPAC name | 1-phenylethanone |
Synonyms | 1-Phenylethanone|Methyl phenyl ketone|Phenyl methyl ketone|Acetylbenzene|Ethanone, 1-phenyl-|Benzoyl methide|Hypnone|1-phenylethan-1-one|Acetophenon|Acetylbenzol|1-Phenyl-1-ethanone|Benzoylmethide|Benzene, acetyl-|Acetofenon|Ketone, methyl phenyl |
Categories | Flavor enhancer |
SMILES | CC(=O)C1=CC=CC=C1 |
InCheykey | InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | Warning |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
120.151 | 0 | 1 | 1 | 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 | Irritant | Degradable |