Pubchem ID | 5463914 |
---|---|
CAS | 7786-47-2 |
IUPAC name | nonyl 3-methylbutanoate |
Synonyms | Nonyl 3-methylbutanoate|Nonyl isopentanoate|Isovaleric acid, nonyl ester|Nonyl isovalerianate |
Categories | Flavor enhancer |
SMILES | CCCCCCCCCOC(=O)CC(C)C |
InCheykey | InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-16-14(15)12-13(2)3/h13H,4-12H2,1-3H3 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
228.376 | 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 |