Tri-p-tolyl phosphate - Materials / Alfa Chemistry

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Tri-p-tolyl phosphate

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Catalog Number

ACMA00017222

Product Name

Tri-p-tolyl phosphate

Category

Polymers

Description

Tri-p-tolyl phosphate is a crystalline solid. (NTP, 1992)

IUPAC Name

tris(4-methylphenyl) phosphate

Molecular Weight

368.4g/mol

Molecular Formula

C21H21O4P

Canonical SMILES

CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C

InChI

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

Boiling Point

435 °F at 3.5 mm Hg (NTP, 1992)

Melting Point

171 to 172 °F (NTP, 1992);77.5 °C;77.5 °C

Flash Point

410 °F (CLOSED CUP)

Density

1.247 at 77 °F (NTP, 1992);1.247 g/cu cm at 25 °C

Solubility

Insoluble (NTP, 1992);8.14e-07 M;In water, 0.074 mg/L at 24 °C /Practical grade/;Soluble in ethanol, ethyl ether, benzene, chloroform.

Color/Form

Needles from alcohol; tablets from ethanol

Complexity

392

Covalently-Bonded Unit Count

EC Number

215-548-8;201-105-6;809-930-9

Exact Mass

368.117746g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 6.34 (est)

MeSH Entry Terms

Phosphate, Tricresyl;Phosphate, Tritolyl;Phosphates, Tricresyl;Phosphates, Tritolyl;Tricresyl Phosphate;Tricresyl Phosphates;Tritolyl Phosphate;Tritolyl Phosphates

Monoisotopic Mass

368.117746g/mol

NSC Number

2181

Other Experimental

BP: 224 °C at 35 mm Hg;MP: SUPERCOOLS; ACIDITY: 0.02 CALCULATED AS % PHOSPHORIC ACID; VISC: 60 CENTISTOKE @ 25 °C & 4.0 CENTISTOKE @ 100 °C /ISOMERIC MIXT/;Flame resistant liquid; pour point: -28 °C; specific heat 0.38; index of refraction: 1.55 at 25 °C/D; oily liquid; solubility: less than 0.002% in water at 85 °C; miscible with organic solvents and thinners, linseed oil, castor oil, china wood oil /Isomeric mixture/;Water solubility: 0.1 mg/L at 25 °C /Isomeric mixture/;Henry's Law constant = 5.4X10-8 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.4X10-11 cu cm/molecule-sec at 25 °C (est)

Rotatable Bond Count

Stability

Stable, non-volatile /Tricresyl phosphate/

UNII

5149JKD098

UN Number

3082;2574;2574

Vapor Pressure

4.9X10-7 mm Hg at 25 °C (est)

XLogP3

5.1

MSDS