≥92% 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 | 488188792 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488188792 |
| Canonical Smiles | CC(=O)CC(OC)OC |
| IUPAC Name | 4,4-dimethoxybutan-2-one |
| InChIKey | PJCCSZUMZMCWSX-UHFFFAOYSA-N |
| INCHI | 1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3 |
| Isomeric SMILES | CC(=O)CC(OC)OC |
| WGK Germany | 2 |
| RTECS | EL7592500 |
| UN Number | 1224 |
| Molecular Weight | 132.16 |
| Beilstein | 1702372 |
| Reaxy-Rn | 1702372 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702372&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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Ketones |
| Alternative Parents | Acetals Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Ketone - Acetal - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. |
| 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 |
|---|---|---|---|
 H2426198 | Certificate of Analysis | Jun 26, 2024 | D498461 |
| C23181075 | Certificate of Analysis | Mar 24, 2023 | D498461 |
| C23181076 | Certificate of Analysis | Mar 24, 2023 | D498461 |
| C23181078 | Certificate of Analysis | Mar 24, 2023 | D498461 |
| Solubility | Miscible with alcohol. Immiscible with water. |
|---|---|
| Refractive Index | 1.414 |
| Flash Point(°F) | 58°C |
| Flash Point(°C) | 58°C |
| Boil Point(°C) | 70-73 °C/20 mmHg |
| Molecular Weight | 132.160 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 132.079 Da |
| Monoisotopic Mass | 132.079 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 86.300 |
| 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 |
