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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:
Molecular Weight:
326.28
Beilstein:
1888236
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

vapor pressure

1.3 mmHg ( 200 °C)

Quality Level

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)

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

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

428.0 °F - closed cup

Flash Point(C)

220 °C - closed cup


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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.
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
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

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