4,4'-Isopropylidenedicyclohexanol

Base Information

• Chemical Name: 4,4'-Isopropylidenedicyclohexanol
• CAS No.: 80-04-6
• Deprecated CAS: 71402-84-1,93882-53-2,93882-53-2
• Molecular Formula: C₁₅H₂₈O₂
• Molecular Weight: 240.386
• Hs Code.: 2906199090
• European Community (EC) Number: 201-244-2
• NSC Number: 8992,8991,8990
• UNII: NXZ4H12R1Z
• DSSTox Substance ID: DTXSID0044993
• Nikkaji Number: J192.573C
• Wikidata: Q27285099
• ChEMBL ID: CHEMBL3185065
• Mol file: 80-04-6.mol

Synonyms:80-04-6;4,4'-Isopropylidenedicyclohexanol;Perhydrobisphenol A;HBPA;2,2-Bis(4-hydroxycyclohexyl)propane;4,4'-(Propane-2,2-diyl)dicyclohexanol;Dodecahydrobisphenol A;Cyclohexanol, 4,4'-(1-methylethylidene)bis-;Perhydrobisphenol;4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol;4,4-(Propane-2,2-diyl)dicyclohexanol;1,1'-Isopropylidenebis(4-cyclohexanol);4,4'-Propane-2,2-diyldicyclohexanol;UNII-NXZ4H12R1Z;NXZ4H12R1Z;DTXSID0044993;NSC 8990;NSC-8990;EINECS 201-244-2;Cyclohexanol, 4,4'-isopropylidenedi-;AI3-25180;EC 201-244-2;4,4'-(Propane-2,2-diyl)dicyclohexanol (HBPA);4,4-isopropylidenedicyclohexanol;dicyclohexanolpropane;SCHEMBL18498;CHEMBL3185065;DTXCID8024993;SCHEMBL16038674;4,4'-isopropylidendicyclohexanol;NSC8990;NSC8991;NSC8992;Cyclohexanol,4'-isopropylidenedi-;KUC105367N;AMY14299;NSC-8991;NSC-8992;Tox21_301398;KSC-7-196;MFCD00019334;2,2-bis-(Hydroxycyclohexyl)propanone;4,4'-isopropylidenebis(cyclohexanol);AKOS015907919;2,2-bis-(p-hydroxycyclohexyl)-propane;CAS-80-04-6;p,p'-Dihydroxy-2,2-dicyclohexylpropane;NCGC00256183-01;p,p'-Dihydroxy-2,2-dicyclohexyl propane;AC-19643;AS-14776;Cyclohexanol,4'-(1-methylethylidene)bis-;4,4\'-(Propane-2,2-diyl)dicyclohexanol;B0928;FT-0654441;4,4'-(propane-2,2-diyl)bis(cyclohexan-1-ol);A839821;W-104254;Q27285099

Chemical Property of 4,4'-Isopropylidenedicyclohexanol

Chemical Property:

• Appearance/Colour: White flakes
• Vapor Pressure: 0.001Pa at 25℃
• Melting Point: 187 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
• Boiling Point: 341.2 °C at 760 mmHg
• PKA: 15.01±0.40(Predicted)
• Flash Point: 151.7 °C
• PSA: 40.46000
• Density: 1.048 g/cm³
• LogP: 3.11480
• Solubility.: Insoluble in water
• Water Solubility.: 192mg/L at 20℃
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 240.208930132
• Heavy Atom Count: 17
• Complexity: 209

Purity/Quality:

≧98% ^*data from raw suppliers

Hydrogenated bisphenol A ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C1CCC(CC1)O)C2CCC(CC2)O
• Uses: 4,4'-isopropylidenedicyclohexanol is unsaturated polyester resin, epoxy resin raw materials, especially as glass, steel, artificial marble bathtub, plating tank and other components, and has a water resistance, chemical resistance, thermal stability and light stability.

Technology Process of 4,4'-Isopropylidenedicyclohexanol

There total 8 articles about 4,4'-Isopropylidenedicyclohexanol 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: 100.0%

BPA (80-05-7) → 4,4'-isopropylidenedicyclohexanol (13804-54-1,13804-57-4,13804-58-5,80-04-6)

Guidance literature:

In 1,4-dioxane; water;

Reference yield:

BPA (80-05-7) → 4,4'-isopropylidenedicyclohexanol (13804-54-1,13804-57-4,13804-58-5,80-04-6) + 4-(2-cyclohexylpropan-2-yl)cyclohexanol (50807-15-3) + propane-2,2-diyldicyclohexane (54934-90-6)

Guidance literature:

With platinum on activated charcoal; hydrogen; In cyclohexane; at 179.84 ℃; for 1h; under 22502.3 Torr;

DOI:10.1039/c9gc01627a

Reference yield:

BPA (80-05-7) → 4,4'-isopropylidenedicyclohexanol (13804-54-1,13804-57-4,13804-58-5,80-04-6) + 4-(2-cyclohexylpropan-2-yl)cyclohexanol (50807-15-3)

Guidance literature:

With platinum on activated charcoal; hydrogen; In cyclohexane; at 99.84 ℃; for 1h; under 22502.3 Torr; Reagent/catalyst; Temperature; Catalytic behavior;

DOI:10.1039/c9gc01627a

upstream raw materials:

BPA

ethanol

butan-1-ol

Downstream raw materials:

2,2-bis(4-oxocyclohexyl)propane

2,2'-bis(4-hydroxycyclohexyl)propane glycidyl ether

perhydrobisphenol A diallyl ether

Refernces

• 1、 Bergander, Klaus,Glorius, Frank,Heusler, Arne,Wollenburg, Marco. "Trans-Selective and Switchable Arene Hydrogenation of Phenol Derivatives". . p. 11365 - 11370. Retrieved 2020/11/24.
• 2、 -. "Preparation method for hydrogenated bisphenol A and catalyst for hydrogenation of bisphenol A". Paragraph 0039. . Retrieved 2017/05/26.