Pubchem ID | 12041 |
---|---|
CAS | 617-35-6 |
IUPAC name | ethyl 2-oxopropanoate |
Synonyms | Ethyl 2-oxopropanoate|Ethyl 2-oxopropionate|Propanoic acid, 2-oxo-, ethyl ester |
Categories | Flavor enhancer |
SMILES | CCOC(=O)C(=O)C |
InCheykey | InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
116.116 | 0 | 3 | 3 | 43.4 |
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 | Low | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |