Pubchem ID | 61408 |
---|---|
CAS | 7493-69-8 |
IUPAC name | prop-2-enyl 2-ethylbutanoate |
Synonyms | 2-Propenyl 2-ethylbutanoate|Butanoic acid, 2-ethyl-, 2-propenyl ester|2-Propenyl 2-ethylbutyrate |
Categories | Flavor enhancer |
SMILES | CCC(CC)C(=O)OCC=C |
InCheykey | InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3 |
Natural | nan |
E No. | - |
GHS Siginal | Warning |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
156.225 | 0 | 2 | 6 | 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 | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |