Pubchem ID | 20219 |
---|---|
CAS | 4230-97-1 |
IUPAC name | prop-2-enyl octanoate |
Synonyms | Allyl caprylate|2-Propenyl octanoate|Octanoic acid, 2-propenyl ester|Allyl octylate |
Categories | Flavor enhancer |
SMILES | CCCCCCCC(=O)OCC=C |
InCheykey | InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3 |
Natural | nan |
E No. | - |
GHS Siginal | Danger |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
184.279 | 0 | 2 | 9 | 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 |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |