Skip to Content
Merck
CN

Key Documents

View All Documentation

15180

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

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Empirical Formula (Hill Notation):
C56H84CaO8P2
CAS Number:
40835-97-0
Molecular Weight:
987.29
NACRES:
NB.61
PubChem Substance ID:
329750765
UNSPSC Code:
26111700
MDL number:
MFCD00043425
Beilstein/REAXYS Number:
7405516
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

description

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

C\C(C)=C/CC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]5CC[C@@]34C, [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.
Visit our Sensor Applications portal to learn more.

Application

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.
Selected application examples

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
BCCF8184
MKBT5744V
MKBT0897V
MKCB3743
BCBZ9002

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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)
View All Related Papers

Global Trade Item Number

SKUGTIN
445916-5ML04061837837913
15180-1G04061826047637