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Name	Phenol,4,4',4''-methylidynetris-	EINECS	210-040-2
CAS No.	603-44-1	Density	1.282 g/cm³
PSA	60.69000	LogP	3.98360
Solubility	N/A	Melting Point	247 °C
Formula	C₁₉H₁₆O₃	Boiling Point	503.8 °C at 760 mmHg
Molecular Weight	292.334	Flash Point	239.6 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Leucaurin(6CI);Phenol, 4,4',4''-methylidynetri- (7CI,8CI);4,4',4''-Methylidynetrisphenol;4,4',4''-Trihydroxyphenylmethane;4,4',4''-Trihydroxytriphenylmethane;Leucoaurin;NSC 75955;Tris(4-hydroxyphenyl)methane;Tris(p-hydroxyphenyl)methane;Trisphenol PHBA;4,4',4''-methylidynetriphenol;	Article Data	24

Phenol,4,4',4''-methylidynetris- Synthetic route

: 3010-81-9
tris(4-methoxyphenyl)methanol

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With sodium thioethylate In N,N-dimethyl-formamide for 24h; Heating;	93%
With sodium thioethylate In N,N-dimethyl-formamide for 9h; Heating;	93%

: 201230-82-2
carbon monoxide

: 108-95-2
phenol

A: 620-92-8
bis-(4-hydroxyphenyl)methane

B: 603-44-1
4,4',4''-methylidynetrisphenol

C: 123-08-0
4-hydroxy-benzaldehyde

D: 90-02-8
salicylaldehyde

Conditions

Conditions	Yield
With hydrogen fluoride; boron trifluoride at 45℃; under 37503.8 - 60006 Torr; for 4.5h; Product distribution; Further Variations:; Reagents; time;	A n/a B n/a C 80% D 6%

...Expand

: N-(4-hydroxybenzylidene)-4-methylbenzenesulfonamide

: 108-95-2
phenol

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With chloro-trimethyl-silane; bismuth(III) sulfate In dichloromethane at 20℃; for 12h; Friedel-Crafts reaction;	80%

: 603-45-2
aurin

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With sodium tetrahydroborate; acetic acid In ethanol	76%

: 123-08-0
4-hydroxy-benzaldehyde

: 108-95-2
phenol

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With toluene-4-sulfonic acid; zinc(II) chloride at 45℃; for 25h;	70%
With sulfuric acid; acetic acid
With phosphoric acid
With sulfuric acid In 1,4-dioxane; water at 20℃; for 6h;
With toluene-4-sulfonic acid; zinc(II) chloride

: 67-66-3
chloroform

: 100-67-4
potassium phenolate

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
bei Abwesenheit von Sauerstoff;

: 56-23-5
tetrachloromethane

: 108-95-2
phenol

: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With zinc(II) chloride at 135℃;

: 603-45-2
aurin

A: 53153-46-1
5,6-dihydro-3,5,5-trimethyl-1,4-oxazin-2-one

B: 603-44-1
4,4',4''-methylidynetrisphenol

Conditions

Conditions	Yield
With 3,5,5-trimethyl-2-morpholinon-3-yl In dimethylsulfoxide-d6 at 50℃; Yield given. Title compound not separated from byproducts;

: 75-09-2
dichloromethane

: 108-95-2
phenol

A: 2467-03-0
2-[(4-hydroxyphenyl)methyl]phenol

B: 620-92-8
bis-(4-hydroxyphenyl)methane

C: 603-44-1
4,4',4''-methylidynetrisphenol

D: 76176-97-1
2-hydroxyphenylphenoxymethane

Conditions

Conditions	Yield
at 15℃; for 48h; Irradiation; Further byproducts given;

...Expand

: 56-23-5
tetrachloromethane

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

: 108-95-2
phenol

A: 603-45-2
aurin

B: 603-44-1
4,4',4''-methylidynetrisphenol

C: (2-Hydroxy-phenyl)-bis-(4-hydroxy-phenyl)-methanol

D 2'.4''-dioxy-fuchsone: 2'.4''-dioxy-fuchsone

Conditions

Conditions	Yield
at 135℃; Produkt: 9-<4-Oxy-phenyl>-xanthen, 9-<4-Oxy-phenyl>-fluoron;

...Expand

Phenol,4,4',4''-methylidynetris- Specification

The Phenol,4,4',4''-methylidynetris-, with CAS registry number 603-44-1, has the systematic name of 4,4',4''-methanetriyltriphenol. And its IUPAC name is 4-[bis(4-hydroxyphenyl)methyl]phenol. Besides this, it is also called 4,4',4''-Trihydroxytriphenylmethane. And the chemical formula of this chemical is C₁₉H₁₆O₃.

Physical properties of Phenol,4,4',4''-methylidynetris-: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 259.83; (6)ACD/BCF (pH 7.4): 257.78; (7)ACD/KOC (pH 5.5): 1862.2; (8)ACD/KOC (pH 7.4): 1847.54; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 85.61 cm³; (15)Molar Volume: 227.9 cm³; (16)Polarizability: 33.93×10^-24cm³; (17)Surface Tension: 60.6 dyne/cm; (18)Density: 1.282 g/cm³; (19)Flash Point: 239.6 °C; (20)Enthalpy of Vaporization: 80.24 kJ/mol; (21)Boiling Point: 503.8 °C at 760 mmHg; (22)Vapour Pressure: 8.98E-11 mmHg at 25°C.

Preparation: this chemical can be prepared by Tris-(4-methoxy-phenyl)-methanol. This reaction will need reagent NaSEt and solvent dimethylformamide. The reaction time is 1 day(s). The yield is about 93%.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)C(c2ccc(O)cc2)c3ccc(O)cc3
(2)InChI: InChI=1/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H
(3)InChIKey: WFCQTAXSWSWIHS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C19H16O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,19-22H
(5)Std. InChIKey: WFCQTAXSWSWIHS-UHFFFAOYSA-N

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