Pubchem ID | 140511 |
---|---|
CAS | 19269-28-4 |
IUPAC name | 3-methylhexanal |
Synonyms | Hexanal, 3-methyl-|3-methyl-hexanal|Hexanal, 3-methyl-, (S)-|3-methyl hexanal |
Categories | Flavor enhancer |
SMILES | CCCC(C)CC=O |
InCheykey | InChI=1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
114.188 | 0 | 1 | 4 | 17.1 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | 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 | Irritant | Irritant | Degradable |