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Basic Description
| Synonyms | 5689-83-8 | 4-methyl-1,3,2-dioxathiolane 2,2-dioxide | propylene sulfate | PROPANE 1,2-CYCLIC SULFATE | 1,2-Propanediol-cyclic sulfate | 4-Methyl-2,2-dioxo-1,3,2-dioxathiolane | 1,3,2-Dioxathiolane, 4-methyl-, 2,2-dioxide | 4-Methyl-[1,3,2]dioxathiolane 2,2-dioxide | Pro |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Organic sulfuric acids and derivatives
- Subclass Sulfuric acid esters
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Class
Organic sulfuric acids and derivatives
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Superclass
Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfuric acids and derivatives |
| Subclass | Sulfuric acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sulfuric acid diesters |
| Alternative Parents | Dioxathiolanes Alkyl sulfates Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Sulfuric acid diester - Alkyl sulfate - Dioxathiolane - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as sulfuric acid diesters. These are organic compounds containing the sulfuric acid diester functional group with the generic structure ROS(OR')(=O)=O, (R,R'=organyl group). |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 4-methyl-1,3,2-dioxathiolane 2,2-dioxide |
|---|---|
| INCHI | InChI=1S/C3H6O4S/c1-3-2-6-8(4,5)7-3/h3H,2H2,1H3 |
| InChIKey | OQXNUCOGMMHHNA-UHFFFAOYSA-N |
| Smiles | CC1COS(=O)(=O)O1 |
| Isomeric SMILES | CC1COS(=O)(=O)O1 |
| Molecular Weight | 138.14 |
| Reaxy-Rn | 3538009 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3538009&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2431268 |
Certificate of Analysis | Jan 23, 2024 | M158558 |
| A2431270 |
Certificate of Analysis | Jan 23, 2024 | M158558 |
| A2431271 |
Certificate of Analysis | Jan 23, 2024 | M158558 |
| A2431274 |
Certificate of Analysis | Jan 23, 2024 | M158558 |
| A2431273 |
Certificate of Analysis | Jan 23, 2024 | M158558 |
| A2431272 |
Certificate of Analysis | Jan 23, 2024 | M158558 |
| A2431275 |
Certificate of Analysis | Jan 23, 2024 | M158558 |
| A2431277 |
Certificate of Analysis | Jan 23, 2024 | M158558 |
Chemical and Physical Properties
| Boil Point(°C) | 50°C/0.1mmHg(lit.) |
|---|---|
| Molecular Weight | 138.140 g/mol |
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 137.999 Da |
| Monoisotopic Mass | 137.999 Da |
| Topological Polar Surface Area | 61.000 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 164.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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