Determine the necessary mass, volume, or concentration for preparing a solution.
Reagent grade Reagent Grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504753513 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753513 |
| Canonical Smiles | CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C |
| IUPAC Name | bis(8-methylnonyl) hexanedioate |
| InChIKey | YKGYQYOQRGPFTO-UHFFFAOYSA-N |
| INCHI | 1S/C26H50O4/c1-23(2)17-11-7-5-9-15-21-29-25(27)19-13-14-20-26(28)30-22-16-10-6-8-12-18-24(3)4/h23-24H,5-22H2,1-4H3 |
| Isomeric SMILES | CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C |
| Molecular Weight | 426.68 |
| Reaxy-Rn | 13156532 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13156532&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty alcohol esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty alcohol esters |
| Alternative Parents | Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty alcohol ester - Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 09, 2025 | D196241 | |
| Certificate of Analysis | Sep 09, 2025 | D196241 | |
| Certificate of Analysis | Sep 09, 2025 | D196241 | |
| Certificate of Analysis | May 08, 2023 | D196241 | |
| Certificate of Analysis | Apr 11, 2023 | D196241 | |
| Certificate of Analysis | Dec 14, 2021 | D196241 |
| Solubility | hexane, toluene, ethanol and acetone: soluble; water and propylene glycol: insoluble |
|---|---|
| Refractive Index | n20/D 1.452(lit.) |
| Flash Point(°F) | 229°C |
| Flash Point(°C) | 229°C |
| Boil Point(°C) | 240 °C |
| Molecular Weight | 426.700 g/mol |
| XLogP3 | 9.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 23 |
| Exact Mass | 426.371 Da |
| Monoisotopic Mass | 426.371 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 366.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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