ChemicalBook--->CAS DataBase List--->20601-38-1

20601-38-1

20601-38-1 Structure

20601-38-1 Structure
IdentificationBack Directory
[Name]

4,4'-BICYCLOHEXANOL
[CAS]

20601-38-1
[Synonyms]

Einecs 243-908-4
4,4'-BICYCLOHEXANOL
4,4'-BICYCLOHEXYLDIOL
4,4'-DICYCLOHEXYLDIOL
4,4'-BICYCLOHEXANEDIOL
dicyclohexyl-4,4'-diol
4,4''-BICYCLOHEXANOL 98+%
4,4'-DIHYDROXYBICYCLOHEXYL
4,4'-DIHYDROXYDICYCLOHEXYL
1,1'-BICYCLOHEXYL-4,4'-DIOL
1,1'-Bicyclohexane-4,4'-diol
1,1'-Bi[cyclohexane]-4,4'-diol
4,4'-Bicyclohexanol (mixture of isomers)
4,4μ-Dicyclohexyldiol, 4,4μ-Dihydroxybicyclohexyl
4,4'-BICYCLOHEXYLDIOL (CIS+TRANS), MIXTURE OF ISOMERS
1,1'-Bicyclohexyl-4,4'-diol 4,4'-Dihydroxydicyclohexyl
[EINECS(EC#)]

243-908-4
[Molecular Formula]

C12H22O2
[MDL Number]

MFCD00012056
[MOL File]

20601-38-1.mol
[Molecular Weight]

198.3
Chemical PropertiesBack Directory
[Melting point ]

184-188 °C
[Boiling point ]

324.2±10.0 °C(Predicted)
[density ]

1.098±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

14.99±0.40(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C12H22O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h9-14H,1-8H2
[InChIKey]

MZXNOAWIRQFYDB-UHFFFAOYSA-N
[SMILES]

C1(C2CCC(O)CC2)CCC(O)CC1
Hazard InformationBack Directory
[Chemical Properties]

white powder
[Synthesis]

4,4'-Biphenol

92-88-6

4,4'-BICYCLOHEXANOL

20601-38-1

The general procedure for the synthesis of 4,4'-dihydroxydicyclohexane from 4,4'-dihydroxybiphenyl was as follows: in a 300 mL autoclave equipped with a stirring device, 20 g of 4,4'-biphenol, 1 g of Ruanne nickel and 80 g of 2-propanol were added. The hydrogenation reaction was carried out under hydrogen atmosphere at 6 MPa pressure and 150 °C temperature for 2 hours. Upon completion of the reaction, 2-propanol was added to the reaction solution until the crystals were completely dissolved. Subsequently, the catalyst was removed by filtration to obtain a pure reaction product solution. Finally, the solution was processed by concentration and drying to obtain 21.4 g of crude 4,4'-bicyclohexanol (A) with a purity of 96.7%.

[References]

[1] Chemistry - A European Journal, 2009, vol. 15, # 28, p. 6953 - 6963
[2] Collection of Czechoslovak Chemical Communications, 1974, vol. 39, p. 249 - 256
[3] Patent: US4910350, 1990, A
[4] Patent: EP2837615, 2015, A1. Location in patent: Paragraph 0045
[5] Advanced Synthesis and Catalysis, 2018, vol. 360, # 20, p. 3924 - 3929
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2906190090
Questions And AnswerBack Directory
[Application]

4,4'-Dihydroxydicyclohexane is a hydrocarbon organic compound that can be used as an intermediate in the synthesis of materials.
Spectrum DetailBack Directory
[Spectrum Detail]

4,4'-BICYCLOHEXANOL(20601-38-1)MS
4,4'-BICYCLOHEXANOL(20601-38-1)1HNMR
4,4'-BICYCLOHEXANOL(20601-38-1)IR1
4,4'-BICYCLOHEXANOL(20601-38-1)IR2
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