Pubchem ID | 7803 |
---|---|
CAS | 106-36-5 |
IUPAC name | propyl propanoate |
Synonyms | Propanoic acid, propyl ester|n-Propyl propionate|n-Propyl propanoate|Propionic acid, propyl ester|n-Propyl n-propionate|Propionic acid n-propyl ester|Propylester kyseliny propionove |
Categories | Flavor enhancer |
SMILES | CCCOC(=O)CC |
InCheykey | InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
116.16 | 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 |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |