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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC |
|---|---|
| IUPAC Name | 2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate |
| InChIKey | FRQDZJMEHSJOPU-UHFFFAOYSA-N |
| INCHI | 1S/C22H42O6/c1-5-9-11-19(7-3)21(23)27-17-15-25-13-14-26-16-18-28-22(24)20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3 |
| Isomeric SMILES | CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC |
| Alternate CAS | 94-28-0 |
| Molecular Weight | 402.57 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →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 Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Ether - Dialkyl ether - 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 |
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 22, 2025 | T693394 | |
| Certificate of Analysis | Sep 22, 2025 | T693394 | |
| Certificate of Analysis | Sep 22, 2025 | T693394 | |
| Certificate of Analysis | Sep 22, 2025 | T693394 | |
| Certificate of Analysis | Sep 15, 2025 | T693394 | |
| Certificate of Analysis | Sep 15, 2025 | T693394 |
| Boil Point(°C) | 344 °C(lit.) |
|---|---|
| Melt Point(°C) | −50 °C(lit.) |
| Molecular Weight | 402.600 g/mol |
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 21 |
| Exact Mass | 402.298 Da |
| Monoisotopic Mass | 402.298 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 349.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |