Pubchem ID | 23235 |
---|---|
CAS | 6789-88-4 |
IUPAC name | hexyl benzoate |
Synonyms | Benzoic acid, hexyl ester|Benzoic acid n-hexyl ester|n-Hexylbenzoate|1-Hexyl benzoate|Hexylbenzoate|Benzoic Acid Hexyl Ester|Hexylester kyseliny benzoove |
Categories | Flavor enhancer |
SMILES | CCCCCCOC(=O)C1=CC=CC=C1 |
InCheykey | InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
206.285 | 0 | 2 | 7 | 26.3 |
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 | Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Non-Irritant | Degradable |