Pubchem ID | 69415 |
---|---|
CAS | 629-12-9 |
IUPAC name | 1-isothiocyanatopentane |
Synonyms | Pentyl isothiocyanate|1-Isothiocyanatopentane|n-Amyl isothiocyanate|Amyl isothiocyanate|1-pentyl isothiocyanate|pentylisothiocyanate|n-Pentyl isothiocyanate |
Categories | Flavor enhancer |
SMILES | CCCCCN=C=S |
InCheykey | InChI=1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | Danger |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
129.221 | 0 | 2 | 4 | 44.4 |
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 | High | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |