Phenolphthalin

Base Information

• Chemical Name: Phenolphthalin
• CAS No.: 81-90-3
• Molecular Formula: C20H15O4
• Molecular Weight: 320.345
• European Community (EC) Number: 201-384-4
• DSSTox Substance ID: DTXSID5022439
• Nikkaji Number: J8.609F
• Wikidata: Q1465337
• Metabolomics Workbench ID: 67818
• ChEMBL ID: CHEMBL1528560
• Mol file: 81-90-3.mol

Synonyms:Phenolphthalin;81-90-3;2-[Bis(4-hydroxyphenyl)methyl]benzoic acid;Darmol;Benzoic acid, 2-[bis(4-hydroxyphenyl)methyl]-;Mondane Plus;EINECS 201-384-4;alpha,alpha-Bis(4-hydroxyphenyl)-o-toluic acid;Benzoic acid, 2-(bis(4-hydroxyphenyl)methyl)-;Modane Plus;DTXSID5022439;CHEBI:34915;C20H16O4;2-(Bis(4-hydroxyphenyl)methyl)benzoic acid;DTXCID502439;CAS-81-90-3;phenol phthaline;2-[Bis(4-hydroxyphenyl)-methyl]benzoic acid;MFCD00036135;decolorized phenolphthalein;Phenolphthalin, >=92%;MLS001055365;BIDD:ER0212;SCHEMBL438546;CHEMBL1528560;HMS2862K13;Tox21_201700;Tox21_303646;BBL002987;STK378388;AKOS001664686;NCGC00091015-01;NCGC00091015-02;NCGC00091015-03;NCGC00091015-04;NCGC00257471-01;NCGC00259249-01;AS-64934;SMR000313061;LS-170840;EU-0046909;FT-0713363;P0095;2-[Bis(4-hydroxyphenyl)methyl]benzoic acid #;alpha-alpha-bis(4-hydroxyphenyl)-o-toluylsyre;2-(bis-(4-hydroxyphenyl)-methyl)-benzoic acid;D94774;.alpha.,.alpha.-Bis(p-hydroxyphenyl)-o-toluic acid;Q1465337

Chemical Property of Phenolphthalin

Chemical Property:

• Appearance/Colour: white glistening fine crystalline powder
• Vapor Pressure: 7.12E-13mmHg at 25°C
• Melting Point: 238 °C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 548.7 °C at 760 mmHg
• PKA: 3.96±0.36(Predicted)
• Flash Point: 299.7 °C
• PSA: 77.76000
• Density: 1.323 g/cm³
• LogP: 3.97620
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: almost transparency in EtOH95vol%
• Water Solubility.: 175mg/L(20 oC)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 320.10485899
• Heavy Atom Count: 24
• Complexity: 386

Purity/Quality:

98%,99%, ^*data from raw suppliers

Phenolphthalin ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C(=O)O
• Uses: As a reagent for oxidases, blood, HCN, peroxides, copper. Phenolphthalin is used in preparation method of polar polymer doped nanoparticles and composite wave absorbing material containing same.Dyes and metabolite

Technology Process of Phenolphthalin

There total 26 articles about Phenolphthalin 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: 99.0%

phenolphthalein (77-09-8) → phenolphthalin (81-90-3)

Guidance literature:

With sodium hydroxide; zinc; In water; for 96h; Heating;

DOI:10.1080/00304940109356580

Reference yield:

phthalic anhydride (85-44-9) + phenol (108-95-2,27073-41-2) → phenolphthalin (81-90-3) + spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one (596-24-7)

Guidance literature:

With sulfuric acid; at 115 - 120 ℃; man kocht die erhaltene Schmelze mit Wasser aus und extrahiert mit verd. Natronlauge;

Reference yield:

phthalic anhydride (85-44-9) + sulfuric acid (7664-93-9) + phenol (108-95-2,27073-41-2) → phenolphthalin (81-90-3) + spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one (596-24-7)

Guidance literature:

at 115 - 120 ℃;

upstream raw materials:

phthalic anhydride

phenol

2-(4-hydroxy-benzoyl)-benzoic acid

3,3-bis(3,5-dibromo-4-hydroxyphenyl)phthalide

Downstream raw materials:

3,3-bis-(4-isovaleryloxy-phenyl)-phthalide

phenolphthalein disodium salt

phenolphthalol

4,4'-benzylidene-di-phenol

Refernces

• 1、 Zhu, Rui,Jiang, Ju-Long,Li, Xing-Long,Deng, Jin,Fu, Yao. "A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives". . p. 7520 - 7528. Retrieved 2017/11/10.
• 2、 Adamczyk, Maciej,Grote, Jonathan. "A practical method for the synthesis of phenophthalein spirolactams". . p. 95 - 100. Retrieved 2007/10/03.