Pubchem ID | 16872 |
---|---|
CAS | 2349-07-7 |
IUPAC name | hexyl 2-methylpropanoate |
Synonyms | Propanoic acid, 2-methyl-, hexyl ester|n-Hexyl isobutyrate|1-Hexyl isobutyrate|Hexyl isobutanoate|Isobutyric acid, hexyl ester|n-Hexyl isobutanoate|Hexyl 2-methylpropionate |
Categories | Flavor enhancer |
SMILES | CCCCCCOC(=O)C(C)C |
InCheykey | InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
172.268 | 0 | 2 | 7 | 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 |