3006-15-3

Basic information

• Product Name: DI-N-HEXYL SODIUM SULFOSUCCINATE
• Synonyms: sodium 1,4-dihexyl sulphonatosuccinate;SODIUMDIHEXYLSULPHOSUCCINATE;SULPHOSUCCINICACID,DIHEXYLESTER,SODIUMSALT;Dihexyl sodium sulfosuccinate, Sodium dihexyl sulfosuccinate solution;Dihexyl sulfosuccinate solution sodium salt;1,2-Bis(hexyloxycarbonyl)ethanesulfonic acid sodium salt;2-(Sodiooxysulfonyl)butanedioic acid dihexyl ester;2-(Sodiooxysulfonyl)succinic acid dihexyl ester
• CAS NO: 3006-15-3
• Molecular Formula: C₁₆H₂₉O₇S*Na
• Molecular Weight: 388.45
• EINECS: 221-109-1
• Mol File: 3006-15-3.mol
• Article Data: 6

Chemical Properties

• Melting Point: 230°C decomposes
• Appearance: /
• Density: 1.121 g/mL at 20 °C
• Refractive Index: n20/D 1.435
• Storage Temp.: Store at +15°C to +25°C.
• Solubility: 364g/l
• BRN: 3818241
• CAS DataBase Reference: DI-N-HEXYL SODIUM SULFOSUCCINATE(CAS DataBase Reference)
• NIST Chemistry Reference: DI-N-HEXYL SODIUM SULFOSUCCINATE(3006-15-3)
• EPA Substance Registry System: DI-N-HEXYL SODIUM SULFOSUCCINATE(3006-15-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26
• WGK Germany: 3
• RTECS: WN0550000
• F: 3-10
• Hazardous Substances Data: 3006-15-3(Hazardous Substances Data)

Usage

General Description

DI-N-HEXYL SODIUM SULFOSUCCINATE is a chemical compound commonly used as a surfactant and emulsifier in various industrial and consumer products. It is classified as a mild anionic surfactant, which means it has the ability to lower the surface tension of liquids and help them mix more easily. This chemical is often used in personal care products such as shampoos, body washes, and cleansers, as well as in industrial applications such as oil recovery and cleaning agents. Additionally, it is known for its ability to help products produce a stable foam, making it a popular ingredient in many types of soaps and detergents. At the same time, it is important to handle this chemical with care and in accordance with safety guidelines due to its irritant potential. Overall, DI-N-HEXYL SODIUM SULFOSUCCINATE plays a crucial role in the formulation of a wide range of products and processes, serving as a versatile and effective surfactant.

InChI:InChI=1/C16H30O7S.Na/c1-3-5-7-9-11-22-15(17)13-14(24(19,20)21)16(18)23-12-10-8-6-4-2;/h14H,3-13H2,1-2H3,(H,19,20,21);/q;+1

Synthetic route

maleic acid dihexyl ester (16064-83-8) → sodium 1,4-dihexyl sulfosuccinate (3006-15-3)

Conditions	Yield
With sodium hydrogensulfite In ethanol at 119.85℃;	84.7%
With sodium hydrogensulfite In chloroform; water for 6h; Heating;
With sodium hydrogensulfite In water at 99.85℃; sulfonation;
With sodium hydrogensulfite In ethanol Heating;
With sodium hydrogensulfite In water at 99.84℃;

di-n-hexyl succinate (15805-75-1) → sodium 1,4-dihexyl sulfosuccinate (3006-15-3)

Conditions	Yield
With sodium sulfite In water Heating;

hexan-1-ol (111-27-3) + (+-)-2--2-methyl-propionic acid → sodium 1,4-dihexyl sulfosuccinate (3006-15-3)

Conditions	Yield
Multi-step reaction with 2 steps 1: p-toluenesulfonic acid monohydrate / Heating 2: aq. NaHSO3 / ethanol / Heating View Scheme
Multi-step reaction with 2 steps 1: 80 percent / p-TsOH*H2O / 2 h / 124.85 °C 2: 84.7 percent / aq. NaHSO3 / ethanol / 119.85 °C View Scheme

hexan-1-ol (111-27-3) → sodium 1,4-dihexyl sulfosuccinate (3006-15-3)

Conditions	Yield
Multi-step reaction with 2 steps 1: conc. H2SO4 / benzene / 4 h / 54.85 °C 2: sodium hydrogensulfite / H2O / 99.85 °C View Scheme
Multi-step reaction with 2 steps 1: 2 h / Heating 2: Na2SO3 / H2O / Heating View Scheme

sodium 1,4-dihexyl sulfosuccinate (3006-15-3) → sulfosuccinic acid dihexyl ester (23243-42-7)

Conditions	Yield
With hydrogenchloride In isopropyl alcohol at 70℃; for 3h;	98%

cetylpyridinium chloride (123-03-5) + sodium 1,4-dihexyl sulfosuccinate (3006-15-3) → hexadecylpyridinium Cola wet MA-80 (934544-30-6)

Conditions	Yield
In water for 0.5h;	96.93%

sodium 1,4-dihexyl sulfosuccinate (3006-15-3) + N,N-didecyl-N,N-dimethylammonium bromide (2390-68-3) → didecyldimethylammonium Cola wet MA-80 (934544-31-7)

Conditions	Yield
In water for 0.5h;	96.93%

pyrrole (109-97-7) + sodium 1,4-dihexyl sulfosuccinate (3006-15-3) → polymer, sodium dihexylsulfosuccinate doped polypyrrole, obtained by oxidative polymerization of pyrrole with (NH4)2S2O8

Conditions	Yield
With (NH4)S2O8 In water at 0℃; for 20h;

tetrabutylammomium bromide (1643-19-2) + sodium 1,4-dihexyl sulfosuccinate (3006-15-3) → sulfosuccinic acid tetrabutylammonium di-n-hexyl ester

Conditions	Yield
In water

Pd(ethylenediamine)2Br2 + water (7732-18-5) + bromine (7726-95-6) + sodium 1,4-dihexyl sulfosuccinate (3006-15-3) → [Pd(ethylenediamine)2Br](dihexylsulfosuccinate)2*H2O

Conditions	Yield
In tetrahydrofuran; water slowly diffusing Br2 vapor into a soln. of Pd complex and Na salt;

[PdII(ethylenediamine)2]Br2 (13985-91-6, 16483-19-5) + bromine (7726-95-6) + sodium 1,4-dihexyl sulfosuccinate (3006-15-3) → (Pd(ethylenediamine)2Br)(dihexylsulfosuccinate)*H2O

Conditions	Yield
In tetrahydrofuran; water synthesized by slowly diffusing Br2 vapor into 1:1 H2O/THF soln. of Pd(C2N2H8)2Br2 and Na(dialkyl-sulfosuccinate); prepd. according to B. Dufouret al., Chem. Mater. 15 (2003) 1587; XRD;

[Pt(1,2-diaminoethane)2]Br2 + Pt(1,2-diaminoethane)2Br4 + water (7732-18-5) + sodium 1,4-dihexyl sulfosuccinate (3006-15-3) → 2C16H29O7S(1-)*H2O*Pt(3+)*2C2H8N2*Br(1-)

Conditions	Yield
In tetrahydrofuran

sodium 1,4-dihexyl sulfosuccinate (3006-15-3) + Inderal (318-98-9) → propranolol-dihexyl sulfosuccinate

Conditions	Yield
In water under 760.051 Torr; for 0.25h;

Upstream product

• 16064-83-8 maleic acid dihexyl ester 
• 15805-75-1 di-n-hexyl succinate 
• 111-27-3 hexan-1-ol 

Downstream Products

• 23243-42-7 Sulfobernsteinsaeure-dihexylester 

Relevant articles and documents

Role of the succinate skeleton in the disorder-order transition of AOT and its analogous molecules: Detection by infrared absorption spectra of the configurations arising from the difference in torsion angles of the succinate skeleton

The IR spectra in the 13001450 cm-1 region, which reflect the CH and CH2 deformation vibrational modes of the succinate skeleton, have been investigated in detail for sodium dialkylsulfonates (alkyl groups: Ethyl, n-propyl, n-butyl, n-hexyl, n-heptyl, n-octyl, n-decyl, and n-dodecyl) and sodium 1,2-bis(2-ethylhexyl)sulfosuccinate (sodium 1,2-bis(2- ethylhexyloxycarbonyl)ethanesulfonate) (AOT). The results have provided clear evidence that two configurations, arising from the difference in the torsion angles of the succinate skeleton, are preferentially stabilized in aqueous solution as well as in the solid state, depending upon the concentration. Thus, the IR spectra of this region can be used as a powerful tool for elucidation of the mechanism of the disorderorder transition in aggregate systems of AOT or its homologs at the molecular level.

Solubilities of AOT analogues surfactants in supercritical CO2 and HFC-134a fluids

A series of sodium bis(2-ethylhexyl) sulfosuccinate (AOT) analogue surfactants [sodium dibutyl sulfosuccinate (DBSS), sodium dipentyl sulfosuccinate (DPSS), sodium dihexyl sulfosuccinate (DHSS), and sodium dioctyl sulfosuccinate (DOSS)] were synthesized and characterized with 1H NMR and elemental analysis. The solubilities of surfactants in supercritical CO2 (scCO2) and supercritical 1,1,1,2-tetrafluoroethane (HFC-134a) fluids at a temperature range from (308 to 338) K and under pressures of (10 to 30) MPa were measured using a static method coupled with gravimetric analysis. The solubilities of these surfactants are much higher in HFC-134a fluid as compared with that in scCO2. The solubilities increased with increasing temperature and pressure for both scCO2 and HFC-134a fluids. The solubilities in scCO2 increased with increasing carbon atom number of surfactant, whereas they decreased with increasing carbon atom number of surfactant in HFC-134a. The density of scCO2 was simulated with the Peng-Robinson (P-R) equation. The experimental data were used to validate the accuracy of the P-R equation.

Micellar properties of sodium alkyl sulfoacetates and sodium dialkyl sulfosuccinates in water

Viscosity, conductivity, density, and fluorescence quenching studies were conducted in aqueous micellar solutions at 25.0 deg C of sodium alkyl sulfoacetates and sodium dialkyl sulfosuccinates in a comparison of one-tailed and two-tailed surfactant systems.The hexyl, octyl, and decyl members of the former group and the dihexyl and dioctyl members of the latter group were investigated.The results indicated that the sulfoacetates most likely form spherical micelles with aggregation numbers 20 for hexyl, 42 for octyl, and 70 for decyl with three methods for size determination giving concordant results.For the sulfosuccinates, the aggregation numbers from fluorescence quenching were 38 for the dihexyl and 56 for the dioctyl in agreement with the results from the conductance technique which means that spherical micelles are likely formed also.Volume changes on micellization were obtained for the sulfoacetates.