Pentyl 4-methylbenzenesulfonate
Buy Pentyl 4-methylbenzenesulfonate (CAS 4450-76-4) from Zemixal. Request a quote with price, lead time and documents. Catalogue no. ZX-038879.
About Pentyl 4-methylbenzenesulfonate
Zemixal supplies Pentyl 4-methylbenzenesulfonate within its pharma Intermediates & Building Blocks portfolio. Key data: CAS 4450-76-4, formula C12H18O3S and molar mass 242.34 g/mol.
Use cases we see most often
- Organic synthesis
- API synthesis
Safe handling
Hazard communication follows GHS (Warning: H302, H315, H335 and H413). Our SDS lists exposure controls and first-aid measures.
Order it in 100 mg, 250 mg, 1 g and 5 g packs or ask for a bulk quotation. You receive a batch certificate of analysis and a 16-section SDS with each order. Request pricing online and we confirm availability, documentation and freight to your country.
Typical uses
- Organic synthesis
- API synthesis
Applications
Specifications and identifiers
| Product name | Pentyl 4-methylbenzenesulfonate |
|---|---|
| Catalogue number | ZX-038879 |
| CAS number | 4450-76-4 |
| IUPAC name | pentyl 4-methylbenzenesulfonate |
| Molecular formula | C12H18O3S |
| Molar mass | 242.34 g/mol |
| Exact mass | 242.0977 |
| XLogP3 | 3.2 |
| H-bond donors / acceptors | 0 / 3 |
| Topological polar surface area | 51.8 Ų |
| InChIKey | KOUCTZDKTJGHSS-UHFFFAOYSA-N |
| SMILES | CCCCCOS(=O)(=O)C1=CC=C(C=C1)C |
| PubChem CID | 78195 |
| Synonyms | Pentyl tosylate, Pentyl toluene-4-sulphonate, n-Pentyl Toluenesulfonate, Benzenesulfonic acid, 4-methyl-, pentyl ester, pentyl 4-methylbenzene-1-sulfonate, p-Toluenesulfonic acid pentyl ester, 4-Methylbenzenesulfonic acid pentyl ester, pentyl p-toluenesulfonate, p-Toluolsulfosaureamylester, Pentyl 4-methylbenzenesulphonate, Benzenesulphonic acid, 4-methyl-, pentyl ester |
Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.
Safety and GHS hazards
Signal word Warning
- H302Harmful if swallowed
- H315Causes skin irritation
- H335May cause respiratory irritation
- H413May cause long lasting harmful effects to aquatic life
Precautionary statements P261, P264, P270, P271, P273, P280, P301 + P317, P302 + P352, P304 + P340, P319, P321, P330, P332 + P317, P362 + P364, P403 + P233, P405, P501
Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.
Pack sizes
| 100 mg | Quoted on request | |
| 250 mg | Quoted on request | |
| 1 g | Quoted on request | |
| 5 g | Quoted on request |
Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.
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- CAS
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- Formula
- C10H10Na2O10S2
- MW
- 400.3 g/mol
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