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Key Documents

710652

Sigma-Aldrich

Sodium bis(2-ethylhexyl-d17) sulfosuccinate

98 atom % D, 96% (CP)

Synonym(s):

Docusate sodium salt

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About This Item

Empirical Formula (Hill Notation):
C20D34H3NaO7S
CAS Number:
Molecular Weight:
478.77
MDL number:
UNSPSC Code:
12352108
PubChem Substance ID:
NACRES:
NA.12

isotopic purity

98 atom % D

Quality Level

assay

96% (CP)

form

solid

mol wt

478.09 by atom % calculation

technique(s)

bio NMR: suitable

mass shift

M+34

SMILES string

[Na+].[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])OC(=O)CC(C(=O)OC([2H])([2H])C([2H])(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])S([O-])(=O)=O)C([2H])([2H])C([2H])([2H])[2H]

InChI

1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1/i1D3,2D3,3D3,4D3,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,14D2,15D2,16D,17D;

InChI key

APSBXTVYXVQYAB-MTXGETQSSA-M

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

pictograms

CorrosionExclamation mark

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


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Pamela Brunswick et al.
Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering, 55(7), 788-799 (2020-04-01)
Observations made for the analysis of the oil spill dispersant tracer dioctyl sulfosuccinate (DOSS) during LC50 toxicity testing, highlighted a stability issue for this tracer compound in seawater. A liquid chromatography high-resolution quadrupole time-of-flight mass spectrometry (LC/QToF) was used to
Pamela Brunswick et al.
Journal of chromatography. A, 1598, 113-121 (2019-04-17)
A high resolution mass spectrometry method was developed for the environmental impact monitoring of oil spill dispersants. Previously reported instability of dioctyl sulfosuccinate (DOSS) dispersant tracer was addressed by the new procedure. The method monitors both DOSS and its degradation

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