Tri-p-cresyl Phosphate, ≥98%

Cat No:BME-0094

Description

Tri-p-cresyl phosphate is an organophosphate ester supplied at ≥98% purity. It is insoluble in water and soluble in ethanol, benzene, diethyl ether, and chloroform. Its listed melting point is 77°C and boiling point is 430°C.

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Basic Information

Chemical Formula	C₂₁H₂₁O₄P
Molecular Weight	368.37 g/mol
Storage Conditions	Store at room temperature.
Purity	≥98%
EC Number	201-105-6
English Synonyms	Tri-p-tolyl phosphate; tris(4-methylphenyl) phosphate; phosphoric acid tris(4-methylphenyl) ester
Specification	≥98%
Molecular Type	Small molecule
Solubility	Insoluble in water; soluble in ethanol, benzene, diethyl ether, and chloroform
Melting Point	77 °C
Boiling Point	430°C(lit.)
PubChem CID	6529
PubChem SID	488180088
IUPAC Name	tris(4-methylphenyl) phosphate
InChI	1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChI Key	BOSMZFBHAYFUBJ-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C
Isomeric SMILES	CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C
Beilstein Number	6(4)2130
Reaxys RN	1891089
UN Number	3082
Packing Group	III
Hazard Class	9
GHS Pictograms	GHS07, GHS09
Signal Word	Warning
Hazard Statements	H302: Harmful if swallowed. H312: Harmful in contact with skin. H411: Toxic to aquatic life with long-lasting effects.
Precautionary Statements	P264, P270, P273, P280, P321, P330, P391, P302+P352, P362+P364, P501, P301+P317, P317
RTECS	TC9330000
Shipping Conditions	Standard transport
Available Package Sizes	1g, 5g, 25g
XLogP3	5.100
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	392.000
Covalently Bonded Unit Count	1

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