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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:
175736-89-7
Molecular Weight:
478.77
MDL number:
MFCD12545904
UNSPSC Code:
12352108
PubChem Substance ID:
329762939
NACRES:
NA.12

isotopic purity

98 atom % D

Quality Level

200

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
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302,H315,H318

Hazard Classifications

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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