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Pentyl toluene-4-sulphonate, also known as sodium pentyl toluene-4-sulfonate, is a chemical compound with the molecular formula C11H15NaO3S. It is a derivative of toluene-4-sulfonic acid, where a pentyl group (a five-carbon alkyl chain) is attached to the benzene ring, and a sodium ion replaces the hydrogen atom on the sulfonic acid group. This organic salt is commonly used as a surfactant in various applications, such as detergents, emulsifiers, and wetting agents, due to its ability to lower surface tension and improve the solubility of other substances. Its amphiphilic nature, with a hydrophilic sulfonate head and a hydrophobic alkyl tail, allows it to form micelles and facilitate the dispersion of oils and other hydrophobic materials in water.

4450-76-4

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4450-76-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4450-76-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,5 and 0 respectively; the second part has 2 digits, 7 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 4450-76:
(6*4)+(5*4)+(4*5)+(3*0)+(2*7)+(1*6)=84
84 % 10 = 4
So 4450-76-4 is a valid CAS Registry Number.
InChI:InChI=1/C12H18O3S/c1-3-4-5-10-15-16(13,14)12-8-6-11(2)7-9-12/h6-9H,3-5,10H2,1-2H3

4450-76-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name pentyl 4-methylbenzenesulfonate

1.2 Other means of identification

Product number -
Other names n-pentyl p-toluenesulfonate

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:4450-76-4 SDS

4450-76-4Relevant academic research and scientific papers

Combinatorial discovery of thermoresponsive cycloammonium ionic liquids

Chu, Yen-Ho,Hwang, Chun-Chieh,Chen, Chien-Yuan,Tseng, Min-Jen

, p. 11855 - 11858 (2020/10/13)

This work demonstrated, for the first time, the combinatorial discovery and rational identification of small-molecule cycloammonium-based thermoresponsive ionic liquids that exhibit LCST phase transition and carry attractiveTcvalues in water.

Method for preparing N,N-Dimethylaniline compound through alkylation of alkyl tosylate

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Paragraph 0079; 0080, (2019/07/11)

The invention provides a method for preparing a N,N-Dimethylaniline compound through alkylation of alkyl tosylate, and belongs to the technical field of organic synthesis. According to the method, paratoluensulfonyl chloride and fatty alcohol serve as raw materials, pyridine serves as an acid-binding agent, and the alkyl tosylate is generated; the alkyl tosylate as an alkylation reagent and an aniline compound are alkylated under the alkaline condition to obtain the N,N-Dimethylaniline compound. The method is implemented at normal pressure, the operation is simple, no waste acid is generated,the yield and the purity are high, and the method is suitable for industrial and scaled production.

Ionic liquid brush as an efficient and reusable heterogeneous catalytic assembly for the tosylation of phenols and alcohols in neat water

Feng, Simin,Li, Jing,Wei, Junfa

supporting information, p. 4743 - 4746 (2017/07/12)

A very efficient and reusable heterogeneous ionic liquid brush assembly was developed. The catalyst exhibits high catalytic activity for the tosylation of phenols and alcohols in neat water. Moreover, the catalyst shows outstanding stability and reusability, and it can be simply and effectively recovered and reused five times without noticeable loss of catalytic activity.

Synthesis of structural analogues of hexadecylphosphocholine and their antineoplastic, antimicrobial and amoebicidal activity

Timko, Luká?,Fischer-Fodor, Eva,Garajová, Mária,Mrva, Martin,Chereches, Gabriela,Ondriska, Franti?ek,Bukovsky, Marián,Luká?, Milo?,Karlovská, Janka,Kubincová, Janka,Devínsky, Ferdinand

, p. 263 - 273 (2015/05/26)

Twelve derivatives of hexadecylphosphocholine (miltefosine) were synthesized to determine how the position and length of the alkyl chain within the molecule influence their biological activities. The prepared alkylphosphocholines have the same molecular formula as miltefosine. Activity of the compounds was studied against a spectrum of tumour cells, two species of protozoans, bacteria and yeast. Antitumour efficacy of some alkylphosphocholines measured up on MCF-7, A2780, HUT-78 and THP-1 cell lines was higher than that of miltefosine. The compounds showed antiprotozoal activity against Acanthamoeba lugdunensis and Acanthamoeba quina. Some of them also possess fungicidal activity against Candida albicans equal to miltefosine. No antibacterial activity was observed against Staphylococcus aureus and Escherichia coli. A difference in position of a long hydrocarbon chain within the structure with maximum efficacy was observed for antitumour, antiprotozoal and antifungal activity.

NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS

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Page/Page column 58, (2010/04/23)

Disclosed herein are cannabinoid receptor ligands of formula (I) wherein A1, A5, Rx, X4, and z are as defined in the specification. Compositions comprising such compounds, and methods for treating conditions and disorders using such compounds and compositions are also disclosed.

COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS

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Page/Page column 21, (2010/10/19)

Disclosed herein are cannabinoid receptor ligands of formula (1) wherein Ring A and R1 are as defined in the specification. Compositions comprising such compounds, and methods for treating conditions and disorders using such compounds and compositions are also described

Amphiphilic organocatalyst for schotten-baumann-type tosylation of alcohols under organic solvent free condition

Asano, Keisuke,Matsubara, Seijiro

supporting information; experimental part, p. 1757 - 1759 (2009/09/06)

A Tosylation of primary alcohol with tosyl chloride was performed effectively with an W-hexadecylimidazole catalyst in water containing K 2CO3 aggregation of the catalyst carrying a hydrophobic methylene chain worked as a substitute for organic solvent.

Aspects of structural thiohydroxamate chemistry-on a systematic in the 5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thione series

Hartung, Jens,Bergstr??er, Uwe,Daniel, Kristina,Schneiders, Nina,Svoboda, Ingrid,Fuess, Hartmut

experimental part, p. 2567 - 2573 (2009/08/07)

Bond angles at thiohydroxamate oxygen in crystal structures of 3-alkoxy-5-(p-methoxyphenyl)-4-methylthiazole-2(3H)-thiones gradually increased with the size of the 3-alkoxy substituent. This effect was attributed to strain on the basis of (i) a linear free energy relationship (Taft-Dubois correlation) and (ii) signal coalescence from resonances of diastereotopic CH3 groups in solution (O-cumyl substituent; DNMR). Substitution at oxygen along the sequence OR (R=prim-, sec-, and tert-alkyl), OH, and OLi was reflected in a gradual decrease of N,O distances and lengthening of associated C,S bonds. The responsivity for these changes was more pronounced in the thiazole-2(3H)-thione than in the pyridine-2(1H)-thione series.

Solvent-free and selective tosylation of alcohols and phenols with p-toluenesulfonyl chloride by heteropolyacids as highly efficient catalysts

Fazaeli, Razieh,Tangestaninejad, Shahram,Aliyan, Hamid

, p. 812 - 818 (2007/10/03)

Tosylation of some alcohols and phenols has been directly carried out with p-toluenesulfonyl chloride using heterodoxy acids (H3PW 12O40, H3PMo12O40, A 3PW12O40, and AlPMo12O40) as catalysts in the absence of solvent. We found that heteropoly acids AlPW12O40 and AlPMo 12O40 were effective catalysts for the tosylation of alcohols and phenols. In the case of aliphatic alcohols, secondary alcohols undergo tosylation chemoselectively in the presence of primary hydroxyl groups. This new method consistently has the advantage of excellent yields and short reaction time.

An efficient one-pot conversion of THP and TMS ethers to sulfonate esters using FeCl3-montmorillonite K-10 clay

Movassagh, Barahman,Shokri, Salman

, p. 763 - 765 (2007/10/03)

Various tetrahydropyranyl and trimethylsilyl ethers are efficiently transformed into the corresponding sulfonate esters with sulfonyl chlorides in the presence of FeCl3-Montmorillonite K-10 clay.

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