Pubchem ID | 31266 |
---|---|
CAS | 123-68-2 |
IUPAC name | prop-2-enyl hexanoate |
Synonyms | Allyl caproate|Hexanoic acid, 2-propenyl ester|2-Propenyl n-hexanoate |
Categories | Flavor enhancer |
SMILES | CCCCCC(=O)OCC=C |
InCheykey | InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | Danger |
ADI Value | 0-0.13 mg/kg bw |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
156.225 | 0 | 2 | 7 | 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 | Non-Irritant | Non-Irritant | Degradable |