CAS 115-86-6 Triphenyl Phosphate, Reagent - Materials / Alfa Chemistry

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Triphenyl Phosphate, Reagent

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Catalog Number

ACM115866-1

Product Name

Triphenyl Phosphate, Reagent

Structure

CAS

115-86-6

Category

Plasticizers

Description

Triphenyl phosphate appears as colorless crystals. (NTP, 1992);Liquid; PelletsLargeCrystals; PelletsLargeCrystals, Liquid;COLOURLESS CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR.;Colorless, crystalline powder with a phenol-like odor.;Colorless, crystalline powder with a phenol-like odor.

IUPAC Name

triphenyl phosphate

Molecular Weight

326.3g/mol

Molecular Formula

(C6H5)3PO4;C18H15O4P;C18H15O4P

Canonical SMILES

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

InChI

InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H

InChI Key

XZZNDPSIHUTMOC-UHFFFAOYSA-N

Boiling Point

473 °F at 11 mm Hg (NTP, 1992);370 °C;473°F at 11 mmHg;776°F

Melting Point

122 to 124 °F (NTP, 1992);50.5 °C;49.39 °C;49-50 °C;122-124°F;120°F

Flash Point

428 °F (NTP, 1992);428 °F (220 °C) (Closed cup);220 °C c.c.;428°F;428°F

Density

1.2055 (NTP, 1992);Relative density (water = 1): 1.27;1.2055;1.29

Solubility

Insoluble (NTP, 1992);5.82e-06 M;In water, 1.9 mg/L at 25 °C;Insoluble in water;Soluble in ethanol; very soluble in ether, benzene, carbon tetrachloride, chloroform;Soluble in benzene, chloroform, ether, acetone; moderately soluble in alcohol;Soluble in most lacquers, solvents, thinners, oils;Soluble in alcohol, benzene, ether, chloroform, and acetone.;Practically insoluble in petrol;Solubility in water, g/100ml at 20 °C: 0.001;(129°F): 0.002%

Color/Form

Crystals from ligroin; prisms from alcohol; needles from diethyl ether;Colorless, crystalline powder;Needles

Complexity

325

Covalently-Bonded Unit Count

EC Number

204-112-2

Exact Mass

326.070796g/mol

Formal Charge

Heavy Atom Count

ICSC Number

1062

Log P

4.59 (LogP);log Kow = 4.59;4.59

MeSH Entry Terms

triphenyl phosphate

Monoisotopic Mass

326.070796g/mol

NSC Number

57868

Odor

Odorless;Phenol-like odor

Other Experimental

BP: 245 °C at 11 mm Hg;Density: 1.2055 g/cu cm at 50 °C;0.002% soluble in water at 54 °C;13.32 mg/cu m = approx 1 ppm;Non-flammable;Bulk density: 10.5 lb/gal;Henry's Law constant = 3.31X10-6 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.08X10-11 cu cm/molec-sec at 25 °C (est)

Refractive Index

Index of refraction: 1.550 at 60 °C

Rotatable Bond Count

RTECS Number

TC8400000

UNII

YZE19Z66EA

Vapor Density

1.19 (Air = 1)

Vapor Pressure

1 mm Hg at 380.3 °F (NTP, 1992);6.28e-06 mmHg;2.00X10-6 mm Hg at 25 °C;Vapor pressure, Pa at 20 °C: 1;1 mmHg at 380.3°F;(380°F): 1 mmHg

XLogP3