2,2-dioctyl-3-sulfobutanedioic acid (CHEM141728)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-17 20:29:27 UTC | ||||||||
| Update Date | 2026-08-17 20:29:27 UTC | ||||||||
| Accession Number | CHEM141728 | ||||||||
| Identification | |||||||||
| Common Name | 2,2-dioctyl-3-sulfobutanedioic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | 2,2-dioctyl-3-sulfobutanedioic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. It is characterized by the formula C40H76O14S2. With an average molecular weight of 845.20 g/mol, 2,2-dioctyl-3-sulfobutanedioic acid is a heavy molecule. It is further classified under the superclass of lipids and lipid-like molecules. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C40H76O14S2 | ||||||||
| Average Molecular Mass | 845.200 g/mol | ||||||||
| Monoisotopic Mass | 844.468 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2,2-dioctyl-3-sulfobutanedioic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | Not Available | ||||||||
| InChI Identifier | InChI=1S/2C20H38O7S/c2*1-3-5-7-9-11-13-15-20(19(23)24,16-14-12-10-8-6-4-2)17(18(21)22)28(25,26)27/h2*17H,3-16H2,1-2H3,(H,21,22)(H,23,24)(H,25,26,27) | ||||||||
| InChI Key | HYTKCWZXXBPCSZ-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
