Pubchem ID | 31265 |
---|---|
CAS | 123-66-0 |
IUPAC name | ethyl hexanoate |
Synonyms | Ethyl caproate|Hexanoic acid, ethyl ester|Hexanoic Acid Ethyl Ester|Ethyl hexoate|Caproic acid ethyl ester|Capronic ether absolute|Ethyl n-hexanoate|Ethyl butyl acetate |
Categories | Flavor enhancer |
SMILES | CCCCCC(=O)OCC |
InCheykey | InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3 |
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 |
---|---|---|---|---|
144.214 | 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 | 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 |