Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
|
D111323-10ml
|
10ml |
2
|
$96.90
|
|
|
D111323-50ml
|
50ml |
2
|
$375.90
|
|
| Synonyms | Diisooctyl sebacate | 27214-90-0 | bis(6-methylheptyl) decanedioate | Decanedioic acid, diisooctyl ester | Decanedioic acid, 1,10-diisooctyl ester | ZD1TEK0P5Y | Sebacic acid, bis(6-methylheptyl) ester | 106-04-7 | UNII-ZD1TEK0P5Y | EINECS 248-333-2 | HALLGREEN DCS | NIKKOL GS |
|---|---|
| Specifications & Purity | ≥95% |
| Shipped In | Normal |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 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 acid esters. These are carboxylic ester derivatives of a fatty acid. |
| External Descriptors | Not available |
|
|
|
| Pubchem Sid | 488187565 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187565 |
| IUPAC Name | bis(6-methylheptyl) decanedioate |
| INCHI | InChI=1S/C26H50O4/c1-23(2)17-11-9-15-21-29-25(27)19-13-7-5-6-8-14-20-26(28)30-22-16-10-12-18-24(3)4/h23-24H,5-22H2,1-4H3 |
| InChIKey | ZWYAVGUHWPLBGT-UHFFFAOYSA-N |
| Smiles | CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C |
| Isomeric SMILES | CC(C)CCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC(C)C |
| Molecular Weight | 426.67 |
| Reaxy-Rn | 13593577 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13593577&ln= |
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 | Aug 13, 2024 | D111323 | |
| Certificate of Analysis | Aug 13, 2024 | D111323 | |
| Certificate of Analysis | Apr 11, 2023 | D111323 | |
| Certificate of Analysis | Dec 12, 2022 | D111323 | |
| Certificate of Analysis | Dec 12, 2022 | D111323 | |
| Certificate of Analysis | Dec 12, 2022 | D111323 | |
| Certificate of Analysis | Dec 12, 2022 | D111323 | |
| Certificate of Analysis | Dec 12, 2022 | D111323 | |
| Certificate of Analysis | Aug 10, 2022 | D111323 |
| Boil Point(°C) | 225°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 |