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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:
78-30-8
Molecular Weight:
368.36
Beilstein/REAXYS Number:
1892885
MDL number:
MFCD00041906
UNSPSC Code:
77101502
PubChem Substance ID:
329757762
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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

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

InChI key

YSMRWXYRXBRSND-UHFFFAOYSA-N

Related Categories

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:
  • 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.

Recommended products

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.

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Danger

Hazard Classifications

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

Storage Class

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

230.0 °F

flash_point_c

110 °C

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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)
Organophosphate esters flame retardants in the indoor environment.
Vykoukalova M, et al.
Environment International, 106, 97-104 (2017)
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)
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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