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Merck
CN

420484

4-tert-Butylcalix[4]arenetetraacetic acid tetraethyl ester

97%

Synonym(s):

4-tert-Butylcalix[4]arenetetra-O-acetic acid tetraethyl ester, 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(2-ethoxy-2-oxoethoxy)calix[4]arene, Sodium ionophore X, Tetrakis[(4-tert-butyl-2-methylenephenoxy)ethyl acetate]

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About This Item

Empirical Formula (Hill Notation):
C60H80O12
CAS Number:
97600-39-0
Molecular Weight:
993.27
UNSPSC Code:
12352108
NACRES:
NA.22
PubChem Substance ID:
24866339
MDL number:
MFCD00145373
Beilstein/REAXYS Number:
3587002

Key Documents

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Product Name

4-tert-Butylcalix[4]arenetetraacetic acid tetraethyl ester, 97%

Quality Level

200

InChI

1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67-19-3)22-38(53)26-45(25-37)57(5,6)7/h25-32H,17-24,33-36H2,1-16H3

SMILES string

CCOC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C(C)(C)C)c5OCC(=O)OCC)C(C)(C)C)c4OCC(=O)OCC)C(C)(C)C)c3OCC(=O)OCC)C(C)(C)C

InChI key

HZHADWCIBZZJNV-UHFFFAOYSA-N

assay

97%

mp

138-141 °C (lit.)

functional group

ester

General description

4-tert-Butylcalix[4]arenetetraaceticacid tetraethyl ester is substituted calixarene and found to have significantly high ionophoric properties for metal ions. It is used as a synergistic agent in the solvent extraction of lanthanoids with a thenoyltrifluoroacetone compound. Furthermore, it is used in the preparation of potentiometric membranes.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
0000415921
0000415921
0000271164
0000243060
0000245229

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A wearable electrochemical sensor for the real-time measurement of sweat sodium concentration
Schazmann B, et al.
Analytical Methods : Advancing Methods and Applications, 2(4), 342-348 (2010)
Synergism as a phenomenon in solvent extraction of 4f-elements with calixarenes
Atanassova M and Kurteva V
Royal Society of Chemistry Advances, 6(14), 11303-11324 (2016)
All Solid State Nickel (II)-Selective Potentiometric Sensor Based on an Upper Rim Substituted Calixarene
Kumar P
Electroanalysis, 24(10), 2005-2012 (2012)
Grzegorz Lisak et al.
Analytica chimica acta, 877, 71-79 (2015-05-24)
Potentiometric sensing utilizing textile-based micro-volume sampling was applied and evaluated for the determination of clinically (Na(+), K(+), Cl(-)) and environmentally (Cd(2+), Pb(2+) and pH) relevant analytes. In this technological design, calibration solutions and samples were absorbed into textiles while the

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