≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Canonical Smiles | CCOC(=O)C1(COC(OC1)(C)C)C(=O)OCC |
|---|---|
| IUPAC Name | diethyl 2,2-dimethyl-1,3-dioxane-5,5-dicarboxylate |
| InChIKey | LRRLQBPVLCTGIE-UHFFFAOYSA-N |
| INCHI | 1S/C12H20O6/c1-5-15-9(13)12(10(14)16-6-2)7-17-11(3,4)18-8-12/h5-8H2,1-4H3 |
| Isomeric SMILES | CCOC(=O)C1(COC(OC1)(C)C)C(=O)OCC |
| Alternate CAS | 51335-75-2 |
| NSC Number | 147806 |
| Molecular Weight | 260.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Acetals |
| Direct Parent | Ketals |
| Alternative Parents | Dicarboxylic acids and derivatives 1,3-dioxanes Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Ketal - Dicarboxylic acid or derivatives - Meta-dioxane - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. |
| External Descriptors | Not available |
| Sensitivity | Moisture sensitive |
|---|---|
| Molecular Weight | 260.279 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 260.126 Da |
| Monoisotopic Mass | 260.126 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 293.000 |
| 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 |
![2，2-Dimethyl-[1，3]dioxane-5，5-dicarboxylic acid diethyl ester - ≥95% CAS No(51335-75-2) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/6/D697145.jpg)