Pubchem ID | 5275520 |
---|---|
CAS | 459-80-3 |
IUPAC name | (2E)-3,7-dimethylocta-2,6-dienoic acid |
Synonyms | 3,7-Dimethylocta-2,6-dienoic acid|Decaprenoic acid |
Categories | Flavor enhancer |
SMILES | CC(=CCCC(=CC(=O)O)C)C |
InCheykey | InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+ |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
168.236 | 1 | 2 | 4 | 37.3 |
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 |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |