Pentyl 4-methylbenzenesulfonate

Name: Pentyl 4-methylbenzenesulfonate
Brand: Vaqora Chemicals
SKU: VQ-047588

About Pentyl 4-methylbenzenesulfonate

Listed under CAS 4450-76-4, Pentyl 4-methylbenzenesulfonate is an organosulfur compound available from Vaqora Chemicals. With the molecular formula C12H18O3S, it has a molar mass of 242.34 g/mol. It is also known as Pentyl tosylate or Pentyl toluene-4-sulphonate.

Store sealed in a dry, well-ventilated location away from incompatible materials. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

Key uses span organic synthesis and API synthesis. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies Pentyl 4-methylbenzenesulfonate in 100 mg, 250 mg, 1 g and 5 g packs, each shipped with a Certificate of Analysis (COA), and exports worldwide. SDS and detailed specification sheets can be requested with your quotation. Custom pack sizes, bulk quantities and specific analytical data can be arranged on request.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Pentyl 4-methylbenzenesulfonate
Catalogue No.	VQ-047588
CAS Number	4450-76-4
IUPAC name	pentyl 4-methylbenzenesulfonate
Molecular formula	C₁₂H₁₈O₃S
Molecular weight	242.34 g/mol
Exact mass	242.0977
InChIKey	KOUCTZDKTJGHSS-UHFFFAOYSA-N
SMILES	CCCCCOS(=O)(=O)C1=CC=C(C=C1)C
PubChem CID	78195

Physical properties
Physical form	Other
LogP (XLogP3)	3.2
H-bond donors / acceptors	0 / 3
TPSA	51.8 Å²
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

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

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 is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Pentyl 4-methylbenzenesulfonate?

The CAS Registry Number of Pentyl 4-methylbenzenesulfonate is 4450-76-4. It is also known as Pentyl tosylate, Pentyl toluene-4-sulphonate, n-Pentyl Toluenesulfonate.

What is the molecular formula and molecular weight of Pentyl 4-methylbenzenesulfonate?

Pentyl 4-methylbenzenesulfonate has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is pentyl 4-methylbenzenesulfonate.

Which grade and pack sizes of Pentyl 4-methylbenzenesulfonate can I order?

We supply Pentyl 4-methylbenzenesulfonate, in 100 mg, 250 mg, 1 g, 5 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Pentyl 4-methylbenzenesulfonate?

Yes. Every lot of Pentyl 4-methylbenzenesulfonate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Pentyl 4-methylbenzenesulfonate be shipped internationally?

Yes. Pentyl 4-methylbenzenesulfonate is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.