≥96% 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.
| Canonical Smiles | CC1CCOS(=O)O1 |
|---|---|
| IUPAC Name | 4-methyl-1,3,2-dioxathiane 2-oxide |
| InChIKey | WGMZCGUVEQNCCE-UHFFFAOYSA-N |
| INCHI | 1S/C4H8O3S/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3 |
| Isomeric SMILES | CC1CCOS(=O)O1 |
| Molecular Weight | 136.171 |
| Reaxy-Rn | 1237514 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237514&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 | Organoheterocyclic compounds |
| Class | Dioxathiolanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dioxathiolanes |
| Alternative Parents | Sulfite esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Dioxathiolane - Sulfite ester - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dioxathiolanes. These are organic heterocyclic compounds containing a dioxathiolane, with a structure consisting of a five-membered saturated ring with one sulfur atom, two oxygen atoms, and two carbon atoms. |
| External Descriptors | Not available |
| Flash Point(°F) | 69.3±18.7 ℃ |
|---|---|
| Flash Point(°C) | 69.3±18.7 ℃ |
| Boil Point(°C) | 185℃ |
| Melt Point(°C) | 5℃ |
| Molecular Weight | 136.170 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 136.019 Da |
| Monoisotopic Mass | 136.019 Da |
| Topological Polar Surface Area | 54.700 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 103.000 |
| 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 |
B1912024