Pubchem ID | 61319 |
---|---|
CAS | 2408-20-0 |
IUPAC name | prop-2-enyl propanoate |
Synonyms | Allyl propanoate|Propanoic acid, 2-propenyl ester|Propionic acid, allyl ester|2-Propenyl propanoate|prop-2-en-1-yl propanoate|Allyl n-propionate|Propanoic acid, 2-propen-1-yl ester |
Categories | Flavor enhancer |
SMILES | CCC(=O)OCC=C |
InCheykey | InChI=1S/C6H10O2/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3 |
Natural | nan |
E No. | - |
GHS Siginal | Danger |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
114.144 | 0 | 2 | 4 | 26.3 |
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 | Medium | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |