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Merck
CN

51885

Tri-o-tolyl phosphate

analytical standard

Synonym(s):

NSC 438, Phosphoric acid tris(2-methylphenyl) ester, TOTP, Tri-o-cresyl phosphate

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About This Item

Empirical Formula (Hill Notation):
C21H21O4P
CAS Number:
Molecular Weight:
368.36
UNSPSC Code:
77101502
NACRES:
NA.24
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1892885
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InChI key

YSMRWXYRXBRSND-UHFFFAOYSA-N

SMILES string

O=P(OC1=C(C)C=CC=C1)(OC2=C(C)C=CC=C2)OC3=CC=CC=C3C

InChI

1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3

grade

analytical standard

assay

≥97.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

impurities

≤0.5% water

refractive index

n20/D 1.559-1.563

application(s)

environmental

format

neat

storage temp.

2-8°C

Quality Level

General description

Tri-o-tolyl phosphate is classified under the class of non-halogenated organophosphate esters (OPEs).

Application

Tri-o-tolyl phosphate may be used as an analytical reference standard for the determination of tri-o-tolyl phosphate in:


  • Analysis of tri-o-tolyl phosphate in edible oils by TLC and GC is described in methods FSSAI 02.036:2021 and FSSAI 02.037:2021
  • Surface water and wastewater effluent samples by liquid chromatography coupled to tandem mass spectrometry equipped with electrospray ionization (LC-ESI-MS/MS) operating under the multiple reaction monitoring (MRM) mode of detection.
  • Human hair and nails by liquid-liquid extraction (LLE) and gas chromatography-mass spectrometry (GC-MS).
  • Indoor air, dust and window wipes by GC-MS/MS.
  • Outdoor air samples by ultra-performance liquid chromatography coupled to triple quadrupole mass spectrometry (UPLC-QqQ-MS/MS) equipped with ESI source and MRM detection.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2 - STOT SE 1

wgk

WGK 3

flash_point_f

230.0 °F

flash_point_c

110 °C

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials


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Towards a regional passive air sampling network and strategy for new POPs in the GRULAC region: Perspectives from the GAPS Network and first results for organophosphorus flame retardants.
Rauert C, et al.
The Science of the Total Environment, 573, 1294-1302 (2016)
Organophosphate esters flame retardants in the indoor environment.
Vykoukalova M, et al.
Environment International, 106, 97-104 (2017)
Liquid chromatography-tandem mass spectrometry direct injection analysis of organophosphorus flame retardants in Ontario surface water and wastewater effluent.
Hao C, et al.
Chemosphere, 191, 288-295 (2018)
Liang-Ying Liu et al.
Journal of chromatography. A, 1406, 251-257 (2015-07-01)
A method for the digestion, extraction, fractionation, and analysis of three classes of flame retardants, including 36 polybrominated diphenyl ethers (PBDEs), 9 halogenated alternative flame retardants (AFRs), and 12 organophosphate esters (OPEs) in human hair and nail samples was developed.

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