Pubchem ID | 11527 |
---|---|
CAS | 589-98-0 |
IUPAC name | octan-3-ol |
Synonyms | Amyl ethyl carbinol|Octanol-3|Ethyl-n-amylcarbinol|Ethylamylcarbinol|Amylethylcarbinol|1-Ethylhexanol|D-n-Octanol|Ethyl amyl carbinol |
Categories | Flavor enhancer |
SMILES | CCCCCC(CC)O |
InCheykey | InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3 |
Natural | YES |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
130.231 | 1 | 1 | 5 | 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 | 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 |