7320-45-8

Basic information

• Product Name: sodium 1,4-diethyl sulphonatosuccinate
• Synonyms: Sodium 1,4-diethyl sulfonatosuccinate;sodium 1,4-diethyl sulphonatosuccinate;(Sodiosulfo)succinic acid diethyl ester;2-(Sodiosulfo)succinic acid diethyl ester;Sodiooxysulfonylbutanedioic acid diethyl ester
• CAS NO: 7320-45-8
• Molecular Formula: C₈H₁₃O₇S*Na
• Molecular Weight: 276.23939
• EINECS: 230-787-8
• Mol File: 7320-45-8.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• Density: 1.363g/cm³
• Refractive Index: 1.481
• CAS DataBase Reference: sodium 1,4-diethyl sulphonatosuccinate(CAS DataBase Reference)
• NIST Chemistry Reference: sodium 1,4-diethyl sulphonatosuccinate(7320-45-8)
• EPA Substance Registry System: sodium 1,4-diethyl sulphonatosuccinate(7320-45-8)

Safety Data

• Hazardous Substances Data: 7320-45-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H14O7S/c1-3-14-7(9)5-6(16(11,12)13)8(10)15-4-2/h6H,3-5H2,1-2H3,(H,11,12,13)

Upstream product

• 141-05-9 Diethyl maleate 

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.

Crystal structures of sodium dimethyl sulfosuccinate and sodium diethyl sulfosuccinate

The crystal structures of sodium dimethyl sulfosuccinate and sodium diethyl sulfosuccinate have been determined by the single crystal X-ray diffraction method. Sodium dimethyl sulfosuccinate (SDMS, C6H9O7SNa·H2O, Mr = 266.20) crystallizes in a triclinic space group P1 with unit cell dimensions a = 5.5971 (8), b = 6.5388 (5), c = 15.267 (2) A, α = 77.855 (8), β = 85.90 (1), γ = 84.95 (1)°. The crystal of sodium diethyl sulfosuccinate (SDES, C8H13O7SNa·3H2O, Mr = 330.29) has a monoclinic space group C2/c with unit cell dimensions a = 34.754 (3), b = 6.0322 (7), c = 15.0777 (9) A, β = 104.385 (7)°. In the SDMS and SDES crystals, the Na+ ion, which is coordinated to six oxygen atoms, forms an octahedral structure. For SDMS, the Na+ ion is coordinated to four oxygen atoms of SO3/- groups and to the two oxygen atoms of water molecules of hydration. For SDES, the Na+ ion is coordinated to the oxygen atom of the β-chain C=O group, one of the SO3/- oxygen atoms and four oxygen atoms of hydrating water molecules. It was found that splitting of the C=O stretch band caused by the Na...O=C coordination occurs in the IR and Raman spectra of SDES.