Description

Butyl-p-toluenesulfonate (CAS 778-28-9), also known as butyl tosylate, is a high-purity organic sulfonate ester with the molecular formula C₁₁H₁₆O₃S. This compound is widely utilized as an alkylating agent and intermediate in organic synthesis, pharmaceutical manufacturing, and specialty chemical production. Its IUPAC name, butyl 4-methylbenzenesulfonate, reflects its structural composition of a butyl ester group attached to a p-toluenesulfonyl moiety. Our product is rigorously tested to ensure optimal purity (>98%) and consistency, making it ideal for demanding research and industrial applications. Supplied in amber glass bottles under inert atmosphere to prevent degradation, this reagent is a valuable tool for nucleophilic substitution reactions and catalyst systems.

Properties

• CAS Number: 778-28-9
• Complexity: 258
• IUPAC Name: butyl 4-methylbenzenesulfonate
• InChI: InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
• InChI Key: QYJXDIUNDMRLAO-UHFFFAOYSA-N
• Exact Mass: 228.08201554
• Molecular Formula: C11H16O3S
• Molecular Weight: 228.31
• SMILES: CCCCOS(=O)(=O)C1=CC=C(C=C1)C
• Topological: 51.8
• Monoisotopic Mass: 228.08201554
• Physical Description: Clear yellow-brown liquid;
• Synonyms: Butyl 4-methylbenzenesulfonate, Butyl p-toluenesulfonate, Butyl tosylate, Butyl p-methylbenzenesulfonate, Benzenesulfonic acid, 4-methyl-, butyl ester, Butyl-p-toluenesulfonate, Butyl toluene-4-sulphonate, NSC 6190, p-Toluene sulfonic acid, butyl ester, CCRIS 9148, n-butyl tosylate, EINECS 212-295-5, BRN 1428508, 00XW1Q3QO1, AI3-02551, NSC-6190, DTXSID8061133, Butyl ptosylate, Butylptoluenesulfonate, nButyl ptoluenesulfonate, Butyl toluene4sulphonate, Butyl pmethylbenzenesulfonate, Butyl 4methylbenzenesulfonate, DTXCID5048009, pToluenesulfonic acid, butyl ester, pToluene sulfonic acid, butyl ester, 4Methylbenzenesulfonic acid, butyl ester, Benzenesulfonic acid, 4methyl, butyl ester, 778-28-9, p-Toluenesulfonic acid n-butyl ester, n-Butyl p-toluenesulfonate, p-TOLUENESULFONIC ACID, BUTYL ESTER, MFCD00027203, toluene-4-sulfonic acid butyl ester, p-Toluenesulfonic Acid Butyl Ester, butyltosylate, UNII-00XW1Q3QO1, butyl 4-methylbenzene-1-sulfonate, Butyl-p-toluolsulfonat, butyl-p-toluene sulphonate, Butyl para-toluenesulfonate, WLN: 4OSWR D1, butyl-4-methylbenzenesulfonate, SCHEMBL187914, SCHEMBL7317709, SCHEMBL7317712, NSC6190, SBB060777, AKOS009028850, Butyl ester of 4-Toluenesulfonic acid, 4-methyl-benzenesulfonic acid butyl ester, AS-17764, SY053065, DB-056261, CS-0152078, NS00037953, ST50547683, T0727, EN300-19213, H10686, Q27231387

Application

Butyl-p-toluenesulfonate serves as a versatile alkylating agent in pharmaceutical synthesis, particularly for introducing butyl groups in active pharmaceutical ingredients (APIs). It finds application in polymer chemistry as a reactive intermediate for modifying resin properties. Researchers also employ this compound in phase-transfer catalysis and as a precursor for advanced material synthesis.

Safety and Hazards

GHS Hazard Statements

• H302 (63.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (28.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (63.3%)
• Skin Irrit. 2 (30%)
• Eye Irrit. 2 (30%)
• STOT SE 3 (28.3%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.