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hemi-Calcium bis[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate

Selectophore™, ≥97.0%

Synonym(s):

Bis[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate calcium salt

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About This Item

Empirical Formula (Hill Notation):
C56H84CaO8P2
CAS Number:
40835-97-0
Molecular Weight:
987.29
Beilstein:
7405516
MDL number:
MFCD00043425
UNSPSC Code:
26111700
PubChem Substance ID:
329750765
NACRES:
NB.61

grade

for ion-selective electrodes

Quality Level

200

product line

Selectophore™

Assay

≥97.0% (HPLC)
≥97.0%

solubility

THF: 2 mg/10 mL, clear, colorless

SMILES string

[Ca++].CC(C)(C)CC(C)(C)c1ccc(OP([O-])(=O)Oc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1.CC(C)(C)CC(C)(C)c3ccc(OP([O-])(=O)Oc4ccc(cc4)C(C)(C)CC(C)(C)C)cc3

InChI

1S/2C28H43O4P.Ca/c2*1-25(2,3)19-27(7,8)21-11-15-23(16-12-21)31-33(29,30)32-24-17-13-22(14-18-24)28(9,10)20-26(4,5)6;/h2*11-18H,19-20H2,1-10H3,(H,29,30);/q;;+2/p-2

InChI key

BSGUAHACNRXMLC-UHFFFAOYSA-L

General description

Bis[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate calcium salt (hemi-Calcium bis[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate) is an ionophore of calcium.
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Application

Selected application examples
Bis[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate calcium salt (hemi-Calcium bis[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate) was used for the preparation of ion-selective electrode (ISE) membranes, for an experimental study aimed towards designing, constructing and applying electronic tongue (e-tongue) which operates as a virtual instrument and was based on the array of potentiometric sensors employing the Sequential Injection Analysis technique (SIA). It was also used in Raman and UV-vis spectroscopy, used to determine amounts of a bulky lipophilic cationic additive, tridodecylmethylammonium chloride (TDMACl), present in polyaniline (PANI) membranes.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Calcium-ion sensor in ion-selective electrodes

Legal Information

Selectophore is a trademark of Merck KGaA, Darmstadt, Germany

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCK6784
BCCK6780
BCCH5994
BCCJ6011
BCCJ0584

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A.J. Frend et al.
Analyst, 108, 1072-1072 (1983)
Virtual instrument for an automated potentiometric e-tongue employing the SIA technique
Duran A
Sensors, 6 (1), 19-29 (2005)
G.J. Moody et al.
Ion-Selective Electrode Rev., 1, 3-3 (1979)
Raman and UV-vis spectroscopic study of polyaniline membranes containing a bulky cationic additive.
Lindfors T
Journal of Electroanalytical Chemistry, 518 (2), 131-138 (2002)
R W Morton et al.
Analytical biochemistry, 157(2), 345-352 (1986-09-01)
Sensitivity of calcium-selective electrodes heretofore has been limited to calcium concentrations above 10(-8) M in the absence of competing ions. We describe the use of calcium buffers to stabilize the free calcium in the reference electrode. Electrode calibration is linear

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