≥97% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504767110 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767110 |
| Canonical Smiles | CC(C)OS(=O)(=O)C1=CC=CC=C1 |
| IUPAC Name | propan-2-yl benzenesulfonate |
| InChIKey | YQZZXXKFKTWDPY-UHFFFAOYSA-N |
| INCHI | 1S/C9H12O3S/c1-8(2)12-13(10,11)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| Isomeric SMILES | CC(C)OS(=O)(=O)C1=CC=CC=C1 |
| Molecular Weight | 200.25 |
| Reaxy-Rn | 1106314 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1106314&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonate esters |
| Alternative Parents | Benzenesulfonyl compounds Arylsulfonic acids and derivatives Organosulfonic acid esters Sulfonyls Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonate ester - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid. |
| 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 |
|---|---|---|---|
 K2115118 | Certificate of Analysis | Aug 13, 2025 | I194240 |
| K2115126 | Certificate of Analysis | Aug 13, 2025 | I194240 |
| K2115127 | Certificate of Analysis | Aug 13, 2025 | I194240 |
| C2019117 | Certificate of Analysis | Jan 17, 2024 | I194240 |
| E2512024 | Certificate of Analysis | Nov 04, 2023 | I194240 |
| E2609023 | Certificate of Analysis | Nov 04, 2023 | I194240 |
| K2314381 | Certificate of Analysis | Nov 04, 2023 | I194240 |
| K2314444 | Certificate of Analysis | Nov 04, 2023 | I194240 |
| K2314445 | Certificate of Analysis | Nov 04, 2023 | I194240 |
| K2314446 | Certificate of Analysis | Nov 04, 2023 | I194240 |
| K2527199 | Certificate of Analysis | Nov 04, 2023 | I194240 |
| K2223268 | Certificate of Analysis | Oct 12, 2021 | I194240 |
| Solubility | Soluble in chloroform and ethyl acetate. |
|---|---|
| Molecular Weight | 200.260 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 200.051 Da |
| Monoisotopic Mass | 200.051 Da |
| Topological Polar Surface Area | 51.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 232.000 |
| 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 |
| 1. Wen Zhou, Fucheng Zhu, Yuanlin Li, Chen Liu, Jie Xu, Houmei Liu. (2025) Developing a solid-phase extraction method based on a novel polymer-silica composite for analysis of sulfonate genotoxic impurities in drugs. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2025.113182] |
