05498

Triphenyl phosphate

TraceCERT^®, ³¹P-qNMR Standard

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

Properties

• 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
• 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

Description

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: ^TWCCS_N2 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.

Legal Information

TraceCERT is a registered trademark of Sigma-Aldrich Co. LLC

Safety Information

• Pictograms: GHS09
• Signal Word: Warning
• Hazard Statements: H410
• Precautionary Statements: P273 - P391 - P501
• 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