Pubchem ID | 20928 |
---|---|
CAS | 4798-44-1 |
IUPAC name | hex-1-en-3-ol |
Synonyms | Propylvinylcarbinol|3-Hydroxy-1-hexene|Vinyl propyl carbinol|Propyl vinyl carbinol|1-Vinylbutanol|1-Vinylbutan-1-ol|FEMA No. 3608 |
Categories | Flavor enhancer |
SMILES | CCCC(C=C)O |
InCheykey | InChI=1S/C6H12O/c1-3-5-6(7)4-2/h4,6-7H,2-3,5H2,1H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
100.161 | 1 | 1 | 3 | 20.2 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Optimal Solubility | Binder | High | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |