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05498

Supelco

Triphenyl phosphate

TraceCERT®, 31P-qNMR Standard, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

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Linear Formula:
(C6H5O)3PO
CAS Number:
115-86-6
Molecular Weight:
326.28
Beilstein:
1888236
EC Number:
204-112-2
MDL number:
MFCD00003031
UNSPSC Code:
41116107
PubChem Substance ID:
329748075
NACRES:
NA.24

vapor pressure

1.3 mmHg ( 200 °C)

Quality Level

300

product line

TraceCERT®

grade

TraceCERT®

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

qNMR: suitable

bp

244 °C/10 mmHg (lit.)

mp

48-50 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
pharmaceutical

SMILES string

O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3

InChI

1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H

InChI key

XZZNDPSIHUTMOC-UHFFFAOYSA-N

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General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com

Check out our entire range of quantitative NMR standards (qNMR standards)

Application


  • Triphenyl phosphate reagent in wastewater treatment: Triphenyl phosphate (TPP) is applied in advanced oxidation processes to enhance the removal of pollutants from wastewater, utilizing Myriophyllum biochar-supported Mn/Mg nano-composites as catalysts to activate periodate for efficient TPP degradation (Xie et al., 2024).

  • Organic phosphate compound in material science: TPP is utilized in the synthesis and modification of LDH hollow polyhedra by polydopamine, demonstrating its versatile application in materials science for developing new composite materials (Hou et al., 2024).

Other Notes

Ion Mobility: TWCCSN2 value of 169.2 Å2 [M+H]+ and 180.3 Å2 [M+Na]+

The collision cross section (CCS) measurement was provided by Waters Corporation, using the SYNAPT XS mass spectrometer.
For a description and overview of how ion mobility enables the measurement of the CCS of an ion visit ims.waters.com.
Further information on the SYNAPT XS mass spectrometer can be found on the IMS microsite and product webpage.

TWCCS measurements are expected to be within 2% of this reference value.

P/N 05498 is part of the Waters Extractables & Leachables UNIFI scientific library which can be downloaded from Waters Marketplace.

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Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Environment
GHS09

Signal Word

Warning

Hazard Statements

H410

Precautionary Statements

P273 - P391 - P501

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

WGK

WGK 2

Flash Point(F)

428.0 °F

Flash Point(C)

220 °C

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Using high-performance quantitative NMR (HP-qNMR) for certifying traceable and highly accurate purity values of organic reference materials with uncertainties <0.1 %
Weber, M., Hellriegel, C., Rueck, A., Sauermoser, R., and Wuethrich, J.
Accreditation and Quality Assurance, 18, 91-98 (2013)
Michael Weber et al.
Analytical and bioanalytical chemistry, 407(11), 3115-3123 (2014-11-25)
Quantitative nuclear magnetic resonance (qNMR) spectroscopy is employed by an increasing number of analytical and industrial laboratories for the assignment of content and quantitative determination of impurities. Within the last few years, it was demonstrated that (1)H qNMR can be
Michael Weber et al.
Journal of pharmaceutical and biomedical analysis, 93, 102-110 (2013-11-05)
Quantitative NMR spectroscopy (qNMR) is gaining interest across both analytical and industrial research applications and has become an essential tool for the content assignment and quantitative determination of impurities. The key benefits of using qNMR as measurement method for the

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