2,2-Bis(4-hydroxy-3-methylphenyl)propane

Base Information

• Chemical Name: 2,2-Bis(4-hydroxy-3-methylphenyl)propane
• CAS No.: 79-97-0
• Deprecated CAS: 33935-87-4,1195181-97-5,2115792-72-6,2460074-37-5,1195181-97-5
• Molecular Formula: C17H20O2
• Molecular Weight: 256.345
• Hs Code.: 29072990
• European Community (EC) Number: 201-240-0
• NSC Number: 408489
• UNII: 98817I7XJ2
• DSSTox Substance ID: DTXSID8047890
• Nikkaji Number: J10.979G
• Wikidata: Q9658055
• ChEMBL ID: CHEMBL2392777
• Mol file: 79-97-0.mol

Synonyms:4-(2,2-dichloro-1-(4-hydroxyphenyl)ethenyl)phenol;bisphenol C

Chemical Property of 2,2-Bis(4-hydroxy-3-methylphenyl)propane

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 138-140 °C
• Refractive Index: 1.569
• Boiling Point: 389.8 °C at 760 mmHg
• PKA: 10.45±0.10(Predicted)
• Flash Point: 190.6 °C
• PSA: 40.46000
• Density: 1.104 g/cm³
• LogP: 4.04050
• Solubility.: almost transparency in Methanol
• Water Solubility.: 22mg/L at 20℃
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 256.146329876
• Heavy Atom Count: 19
• Complexity: 272

Purity/Quality:

99%, ^*data from raw suppliers

Bisphenol C ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)O)C)O
• Uses: Used as a color-developer in thermosensitive recording materials.

Technology Process of 2,2-Bis(4-hydroxy-3-methylphenyl)propane

There total 8 articles about 2,2-Bis(4-hydroxy-3-methylphenyl)propane 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: 91.0%

ortho-cresol (95-48-7,77504-84-8) + acetone (67-64-1) → 2,2-bis(4-hydroxy-3-methylphenyl)propane (79-97-0)

Guidance literature:

With methanol; sulfuric acid; 3-mercaptopropionic acid; In toluene; at 40 ℃; for 2.5h; Temperature; Reagent/catalyst; Solvent; Inert atmosphere;

Reference yield:

methanol (67-56-1) + ortho-cresol (95-48-7,77504-84-8) + acetone (67-64-1) → 2,2-bis(4-hydroxy-3-methylphenyl)propane (79-97-0) + 2-(4-hydroxy-3-methylphenyl)-2-(4-hydroxy-3-methyl-5-sulfonic acid phenyl) propane

Guidance literature:

With sulfuric acid; 1-dodecylthiol; In toluene; at 10 ℃; for 1.75h; Temperature; Inert atmosphere;

Reference yield:

o-cresol sulfate (3233-56-5) + acetone (67-64-1) → 2,2-bis(4-hydroxy-3-methylphenyl)propane (79-97-0)

Guidance literature:

With 1-dodecylthiol; at 30 ℃; for 0.5h; Reagent/catalyst;

upstream raw materials:

Isopropenyl acetate

ortho-cresol

1,2-propanediene

acetone

Downstream raw materials:

2,2'-dimethyl-6,6'-bis-piperidin-1-ylmethyl-4,4'-(1-methyl-ethane-1,1-diyl)-bis-phenol

2,2'-dimethyl-6,6'-bis-morpholinomethyl-4,4'-isopropylidene-di-phenol

ethanol

2,2'-bis-diethylaminomethyl-6,6'-dimethyl-4,4'-isopropylidene-di-phenol

Refernces

• 1、 -. "BISPHENOL COMPOSITION AND METHOD FOR PRODUCING THE SAME AND METHOD FOR PRODUCING POLYCARBONATE RESIN". Paragraph 0130-0139; 0145-0152; 0154-0161. . Retrieved 2021/10/02.
• 2、 -. "METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN". Paragraph 0107; 0108; 0110; 0111; 0113; 0114; 0145; 0159. . Retrieved 2020/02/22.