Pubchem ID | 61185 |
---|---|
CAS | 638-25-5 |
IUPAC name | pentyl octanoate |
Synonyms | Pentyl octanoate|Amyl caprylate|Amyl octoate|Amyl n-Octanoate|Amyl octylate|Pentyl octylate|pentyl caprylate|n-Caprylic acid n-amyl ester|N-Amyl n-octanoate |
Categories | Flavor enhancer |
SMILES | CCCCCCCC(=O)OCCCCC |
InCheykey | InChI=1S/C13H26O2/c1-3-5-7-8-9-11-13(14)15-12-10-6-4-2/h3-12H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
214.349 | 0 | 2 | 11 | 26.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | Very 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 |