Pubchem ID | 5354264 |
---|---|
CAS | 645-62-5 |
IUPAC name | (E)-2-ethylhex-2-enal |
Synonyms | 2-Ethyl-2-hexen-1-al|(E)-2-ethylhex-2-enal|2-Ethylhex-2-enal|2-Ethylhexenal|2-Hexenal, 2-ethyl-|Acrolein, 2-ethyl-3-propyl- |
Categories | Flavor enhancer |
SMILES | CCCC=C(CC)C=O |
InCheykey | InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+ |
Natural | YES |
E No. | - |
GHS Siginal | Danger |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
126.199 | 0 | 1 | 4 | 17.1 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | 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 | Irritant | Degradable |