≥98% 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 | CC(=C1C(=O)OC(OC1=O)(C)C)C |
|---|---|
| IUPAC Name | 2,2-dimethyl-5-propan-2-ylidene-1,3-dioxane-4,6-dione |
| InChIKey | XPGWFAZUEHWZIR-UHFFFAOYSA-N |
| INCHI | 1S/C9H12O4/c1-5(2)6-7(10)12-9(3,4)13-8(6)11/h1-4H3 |
| Isomeric SMILES | CC(=C1C(=O)OC(OC1=O)(C)C)C |
| PubChem CID | 75218 |
| Molecular Weight | 184.19 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Acetals |
| Direct Parent | Ketals |
| Alternative Parents | Dicarboxylic acids and derivatives 1,3-dioxanes Enoate esters Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Ketal - Dicarboxylic acid or derivatives - Meta-dioxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2503265 | Certificate of Analysis | Jul 08, 2025 | D694488 |
| G2503266 | Certificate of Analysis | Jul 08, 2025 | D694488 |
| G2503312 | Certificate of Analysis | Jul 08, 2025 | D694488 |
| G2503313 | Certificate of Analysis | Jul 08, 2025 | D694488 |
| G2503314 | Certificate of Analysis | Jul 08, 2025 | D694488 |
| G2503315 | Certificate of Analysis | Jul 08, 2025 | D694488 |
| G2503316 | Certificate of Analysis | Jul 08, 2025 | D694488 |
| G2503317 | Certificate of Analysis | Jul 08, 2025 | D694488 |
| Molecular Weight | 184.190 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 184.074 Da |
| Monoisotopic Mass | 184.074 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 273.000 |
| 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 |
