Synonym: Bis[4-(1,1,3,3-tetramethylbutyl)phenyl] phosphate calcium salt
CAS Number: 40835-97-0
Empirical Formula (Hill Notation): C56H84CaO8P2
Molecular Weight: 987.29
MDL Number: MFCD00043425
Linear Formula: C56H84CaO8P2
Product Type: Chemical
| assay |
≥97.0% |
| |
≥97.0% (HPLC) |
| description |
for ion-selective electrodes |
| 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 |
| product line |
Selectophore™ |
| Quality Level |
200  |
| SMILES string |
CC(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 |
| solubility |
THF: 2 mg/10 mL, clear, colorless |
| Application: |
Selected application examples |
| 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. |
| 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. |
| General description: |
Visit our Sensor Applications portal to learn more. |
| Legal Information: |
Selectophore is a trademark of Merck KGaA, Darmstadt, Germany |
| Other Notes: |
Calcium-ion sensor in ion-selective electrodes |
| Packaging: |
1 g in glass bottle |
| Packaging: |
Bottomless glass bottle. Contents are inside inserted fused cone. |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥97.0% (HPLC); ≥97.0% |
| UNSPSC |
26111700 |
