Pubchem ID | 5364778 |
---|---|
CAS | 1552-67-6 |
IUPAC name | ethyl (E)-hex-2-enoate |
Synonyms | Ethyl hex-2-enoate|Ethyl trans-2-hexenoate|2-Hexenoic acid, ethyl ester|2-Hexenoic acid, ethyl ester, (2E)-|Ethyl 2E-hexenoate |
Categories | Flavor enhancer |
SMILES | CCCC=CC(=O)OCC |
InCheykey | InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h6-7H,3-5H2,1-2H3/b7-6+ |
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 |
---|---|---|---|---|
142.198 | 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 | Slightly Soluble | Weaker / Non binder | High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |