Pubchem ID | 5956805 |
---|---|
CAS | 10032-00-5 |
IUPAC name | [(2E)-3,7-dimethylocta-2,6-dienyl] 3-oxobutanoate |
Synonyms | Geranyl 3-oxobutanoate|Geranyl beta-ketobutyrate |
Categories | Flavor enhancer |
SMILES | CC(=CCCC(=CCOC(=O)CC(=O)C)C)C |
InCheykey | InChI=1S/C14H22O3/c1-11(2)6-5-7-12(3)8-9-17-14(16)10-13(4)15/h6,8H,5,7,9-10H2,1-4H3/b12-8+ |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
238.327 | 0 | 3 | 8 | 43.4 |
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 |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |