1,1,1-Tris(4-hydroxyphenyl)ethane

Base Information

• Chemical Name: 1,1,1-Tris(4-hydroxyphenyl)ethane
• CAS No.: 27955-94-8
• Molecular Formula: C20H18O3
• Molecular Weight: 306.361
• Hs Code.: 2907199090
• European Community (EC) Number: 405-800-7,608-155-1
• UNII: 25K43J16E2
• DSSTox Substance ID: DTXSID2037712
• Nikkaji Number: J209.065A
• Wikidata: Q24849250
• ChEMBL ID: CHEMBL491936
• Mol file: 27955-94-8.mol

Synonyms:1,1,1-Tris(4-hydroxyphenyl)ethane;27955-94-8;4,4',4''-(ethane-1,1,1-triyl)triphenol;Phenol, 4,4',4''-ethylidynetris-;4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;Tris(4-hydroxyphenyl)ethane;4,4',4''-Ethylidynetrisphenol;Phenol, 4,4',4''-ethylidynetri-;4,4',4''-Ethane-1,1,1-triyltriphenol;DTXSID2037712;UNII-25K43J16E2;4,4',4"-(Ethylidene)trisphenol;25K43J16E2;4,4',4"-Ethane-1,1,1-triyltriphenol;4,4',4''-(ethan-1,1,1-triyl)triphenol;EC 405-800-7;TRISP-HAP;SCHEMBL18750;triphenylmethane derivative, 7;CHEMBL491936;4,4',4''-Ethylidynetriphenol;DTXCID0017712;BDBM29335;AMY6878;BP_12;1,1,1-Tris(p-hydroxyphenyl)ethane;1,1,1tris(4-hydroxy-phenyl)ethane;Tox21_300402;1,1,1-tri-(4-hydroxyphenyl)ethane;MFCD00012180;1,1,1 tris(4-hydroxy-phenyl)ethane;1,1,1-tris(4'-hydroxyphenyl)ethane;1,1,1-tris(4-hydroxy phenyl)ethane;1,1,1-tris(4-hydroxyphenyl) ethane;1,1,1-tri-(4-hydroxyphenyl)-ethane;AKOS015856425;1,1,1 -tris(4'-hydroxyphenyl)ethane;1,1,1 tris(4-hydroxy-phenyl) ethane;1,1,1-tris-(4-hydroxyphenyl)-ethane;1,1,1 tris (4-hydroxy-phenyl) ethane;1,1,1-tris-(4'-hydroxyphenyl)-ethane;NCGC00164142-01;NCGC00164142-02;NCGC00254528-01;AC-24003;AS-15139;THPE;1,1,1-Tris(4-hydroxyphenyl)ethane, 99%;CAS-27955-94-8;LS-104629;CS-0132357;FT-0616960;T1254;1,1,1-(TRIS(P-HYDROXYPHENYL))ETHANE;D78151;A819260;Q24849250;1,1,1-Tris(4-hydroxyphenyl)ethane 100 microg/mL in Acetonitrile

Chemical Property of 1,1,1-Tris(4-hydroxyphenyl)ethane

Chemical Property:

• Vapor Pressure: 6.3E-12mmHg at 25°C
• Melting Point: 246-248 °C
• Refractive Index: 1.655
• Boiling Point: 531.8 °C
• PKA: 10.02±0.10(Predicted)
• Flash Point: 251 °C
• PSA: 60.69000
• Density: 1.252 g/ml
• LogP: 4.15770
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: 241 in mg/100g standard fat at 20 ℃
• Water Solubility.: 25.1mg/L at 20℃
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 306.125594432
• Heavy Atom Count: 23
• Complexity: 304

Purity/Quality:

99% ^*data from raw suppliers

1,1,1-Tris(4-hydroxyphenyl)ethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XiN
• Hazard Codes: Xi,N
• Statements: 36/37/38-51/53
• Safety Statements: 26-37/39-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O

Technology Process of 1,1,1-Tris(4-hydroxyphenyl)ethane

There total 9 articles about 1,1,1-Tris(4-hydroxyphenyl)ethane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.3%

4-Hydroxyacetophenone (99-93-4) + phenol (108-95-2,27073-41-2) → 1,1,1-tris(4-hydroxyphenyl)ethane (27955-94-8)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; In water; at 60 ℃; for 9.66667h; Reagent/catalyst;

Reference yield: 34.1%

acetylacetone (123-54-6,81235-32-7) + phenol (108-95-2,27073-41-2) → 1,1,1-tris(4-hydroxyphenyl)ethane (27955-94-8)

Guidance literature:

methanesulfonic acid; 3-mercaptopropionic acid; at 35 - 55 ℃; for 22h; Product distribution / selectivity;

Reference yield:

acetylacetone (123-54-6,81235-32-7) + phenol (108-95-2,27073-41-2) → BPA (80-05-7) + 1,1,1-tris(4-hydroxyphenyl)ethane (27955-94-8)

Guidance literature:

With sodium 3-mercaptopropanesulfonate; ion exchange resin A-121 (manufactured by Rohm & Haas); at 75 ℃; for 22h;

upstream raw materials:

1,1,1-tris(4-methoxyphenyl)ethane

acetylacetone enol

phenol

tris(4-methoxyphenyl)methanol

Downstream raw materials:

3-

1,1,1-tris(4-propargyl ether phenyl)ethane

1,1,1-tris[4-(3-[tert-butyldimethylsilyloxy]propyloxy)phenyl]ethane

1,1,1-tris(O-phenyl 4-N,N'-diethylthiocarbamate)ethane

Refernces

Nanostructured columnar and cubic liquid-crystalline assemblies consisting of unconventional rigid mesogens based on triphenylmethanes

10.1016/j.tet.2008.06.034

The research focuses on the synthesis and properties of liquid-crystalline (LC) molecules with unconventional shapes, specifically bowl-shaped and dumbbell-shaped mesogens based on triarylmethyl moieties. The study explores the formation of columnar and micellar cubic liquid-crystalline phases using these mesogens. The bowl-shaped molecules contain one triarylmethyl moiety, while the dumbbell-shaped molecules consist of two triarylmethyl moieties connected by rigid rods. The research investigates the effects of structural bulkiness and polarity on the LC properties of these molecules. Key chemicals involved in the synthesis include tris(4-hydroxyphenyl)methane, tris(4-hydroxyphenyl)ethane, 3,4,5-tridodecyloxybenzyl chloride, and various aromatic compounds such as ethyl benzoate, methyl isonicotinate, and 1,4-phenyldiboronic acid. The study also examines the photoluminescence properties of a specific dumbbell-shaped molecule containing a terphenyl moiety, which shows aggregated structures in the cubic phase. The research aims to develop new building blocks for liquid-crystalline materials with potential applications in various fields such as electrooptics, photonics, and sensory devices.