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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
Assay:
97%
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Quality Segment

assay

97%

mp

138-141 °C (lit.)

functional group

ester

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

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

InChI key

HZHADWCIBZZJNV-UHFFFAOYSA-N

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 (personal protective equipment)

Eyeshields, Gloves, type N95 (US)

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