[1,1′-Bicyclohexyl]-4,4′-diol
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![[1,1′-Bicyclohexyl]-4,4′-diol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/56a484e8656f4d2f9a21a42254615e58.png "[1,1′-Bicyclohexyl]-4,4′-diol")
[1,1′-Bicyclohexyl]-4,4′-diol
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CAS No:
20601-38-1
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Formula:
C12H22O2
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Chemical Name:
[1,1′-Bicyclohexyl]-4,4′-diol
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Synonyms:
[1,1′-Bicyclohexyl]-4,4′-diol;[Bicyclohexyl]-4,4′-diol;4,4′-Dihydroxybicyclohexyl;4,4′-Bicyclohexanediol;4,4′-Dihydroxydicyclohexane;Bis(4-hydroxycyclohexyl);[1,1′-Bi(cyclohexane)]-4,4′-diol
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CAS No:
Characteristics
40.5
1.9
1.1±0.1 g/cm3
204-207 °C
324.2°C at 760 mmHg
151.5±13.6 °C
1.539
1.95E-05mmHg at 25°C
Safety Information
3
36/37/38
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
[1,1′-Bicyclohexyl]-4,4′-diol Use and Manufacturing
A 300-mL autoclave equipped with a stirring device was charged with 20 g of 4, 4'-biphenol, 1 g of Raney nickel, and 80 g of 2-propanol, and a hydrogenation reaction was carried out for 2 hours at a hydrogen pressure of 6 MPa and a reaction temperature of 150°C. 2-Propanol was added to the obtained reaction solution until the crystals had completely dissolved. A 300-mL autoclave equipped with a stirring device was charged with 20 g of 4, 4'-biphenol, 1 g of Raney nickel, and 80 g of 2-propanol, and a hydrogenation reaction was carried out for 2 hours at a hydrogen pressure of 6 MPa and a reaction temperature of 150°C. 2-Propanol was added to the obtained reaction solution until the crystals had completely dissolved.
Computed Properties
Molecular Weight:198.30
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:198.161979940
Monoisotopic Mass:198.161979940
Topological Polar Surface Area:40.5
Heavy Atom Count:14
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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