Pubchem ID | 6435867 |
---|---|
CAS | 38621-44-2 |
IUPAC name | butyl (E)-18-sulfooxyoctadec-9-enoate |
Synonyms | Sulfated butyl oleate|Butyl oleate, sulfated|1-Butyl (sulfooxy)oleate |
Categories | Not Categorized |
SMILES | CCCCOC(=O)CCCCCCCC=CCCCCCCCCOS(=O)(=O)O |
InCheykey | InChI=1S/C22H42O6S/c1-2-3-20-27-22(23)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-28-29(24,25)26/h4-5H,2-3,6-21H2,1H3,(H,24,25,26)/b5-4+ |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
434.632 | 1 | 6 | 22 | 98.3 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Low Absorption | Low Solubility | Binder | Undefined | Non - 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 |