Pubchem ID | 4488713 |
---|---|
CAS | 4436-82-2 |
IUPAC name | 6-oxo-3-prop-1-en-2-ylheptanoic acid |
Synonyms | 3-Isopropenyl-6-oxoheptanoic acid|6-oxo-3-(prop-1-en-2-yl)heptanoic acid|limononic acid|FEMA No. 4461 |
Categories | Flavor enhancer |
SMILES | CC(=C)C(CCC(=O)C)CC(=O)O |
InCheykey | InChI=1S/C10H16O3/c1-7(2)9(6-10(12)13)5-4-8(3)11/h9H,1,4-6H2,2-3H3,(H,12,13) |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
184.235 | 1 | 3 | 6 | 54.4 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | Binder | Low | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |