Tri-o-cresyl Phosphate Reference Material, ≥96%

Cat No:BMSPEM-0009

Description

Tri-o-cresyl phosphate is a non-halogenated organophosphate ester supplied at ≥96% purity. It is used as an analytical reference material for determining tri-o-cresyl phosphate in edible oils, surface water, wastewater, human hair and nails, indoor air, dust, window wipes, and outdoor air using TLC, GC, LC–ESI–MS/MS, GC–MS, GC–MS/MS, or UPLC–QqQ–MS/MS workflows.

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Basic Information

Chemical Formula	C₂₁H₂₁O₄P
Molecular Weight	368.37 g/mol
Storage Conditions	Store at 2–8°C under argon.
Purity	≥96%
Primary Application	Analytical reference material for chromatographic measurement in edible oils, water, wastewater, hair, nails, indoor air, dust, wipes, and outdoor air
EC Number	201-103-5
English Synonyms	Tri-o-cresyl phosphate; tri(2-methylphenyl) phosphate; o-tricresyl phosphate; tri-o-tolyl phosphate
Specification	≥96%
Molecular Type	Small molecule
Density	1
Solubility	Insoluble in water; soluble in ether and alcohol
Boiling Point	410°C
Refractive Index	1.56
Flash Point	230.0 °F; 110 °C
Sensitivity	Light-sensitive
PubChem SID	504751112
IUPAC Name	tris(2-methylphenyl) phosphate
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
SMILES	CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
Isomeric SMILES	CC1=CC=CC=C1OP(=O)(OC2=CC=CC=C2C)OC3=CC=CC=C3C
Reaxys RN	1892885
UN Number	2574
Packing Group	II
Hazard Class	6.1
GHS Pictograms	GHS08, GHS09
Signal Word	Danger
Hazard Statements	H370: Causes damage to organs. H411: Toxic to aquatic life with long-lasting effects.
Precautionary Statements	P260, P264, P270, P273, P321, P391, P405, P501, P308+P316
RTECS	TD0350000
Merck Index	9764
Shipping Conditions	Low-temperature transport
Available Package Sizes	5g, 25g, 100g
XLogP3	6.100
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	368.118 Da
Monoisotopic Mass	368.118 Da
Topological Polar Surface Area	44.800 Å²
Heavy Atom Count	26
Complexity	416.000
Covalently Bonded Unit Count	1

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For Research or Industrial Raw Materials, Not For Personal Medical Use!