Pubchem ID | 74786 |
---|---|
CAS | 1968-40-7 |
IUPAC name | ethyl pent-4-enoate |
Synonyms | Ethyl pent-4-enoate|4-Pentenoic acid ethyl ester|4-Pentenoic acid, ethyl ester|Ethyl pent-4-en-1-oate|4-Ethoxycarbonylbut-1-ene |
Categories | Flavor enhancer |
SMILES | CCOC(=O)CCC=C |
InCheykey | InChI=1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
128.171 | 0 | 2 | 5 | 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 |