Pubchem ID | 8106 |
---|---|
CAS | 111-31-9 |
IUPAC name | hexane-1-thiol |
Synonyms | Hexane-1-thiol|Hexyl mercaptan|n-Hexyl mercaptan|Hexanethiol|1-Mercaptohexane|1-Hexylthiol|Hexylthiol|n-Hexanethiol|n-Hexylthiol|n-Hexylmercaptan |
Categories | Flavor enhancer |
SMILES | CCCCCCS |
InCheykey | InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
118.238 | 1 | 1 | 4 | 1.0 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Slightly Soluble | Weaker / Non binder | Very High | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |