Pubchem ID | 5352162 |
---|---|
CAS | 999-40-6 |
IUPAC name | [(2Z)-3,7-dimethylocta-2,6-dienyl] butanoate |
Synonyms | Neryl butanoate|Nonyl n-butyrate|Butanoic acid, (2Z)-3,7-dimethyl-2,6-octadienyl ester |
Categories | Flavor enhancer |
SMILES | CCCC(=O)OCC=C(C)CCC=C(C)C |
InCheykey | InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10- |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
224.344 | 0 | 2 | 8 | 26.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | Very 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 |