826-45-9

Basic information

• Product Name: Bicyclo[2.2.2]octane-1,4-dimethanol
• Synonyms: Bicyclo[2.2.2]octane-1,4-dimethanol;Bicyclo[2.2.2]octane-1,4-diMethano;Bicyclo[2.2.2]octane-1,4-diyldiMethanol
• CAS NO: 826-45-9
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170
• EINECS: -0
• Mol File: 826-45-9.mol
• Article Data: 9

Chemical Properties

• Melting Point: 107-108 °C
• Boiling Point: 298.8±8.0 °C(Predicted)
• Appearance: /
• Density: 1.137±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 14.94±0.10(Predicted)
• CAS DataBase Reference: Bicyclo[2.2.2]octane-1,4-dimethanol(CAS DataBase Reference)
• NIST Chemistry Reference: Bicyclo[2.2.2]octane-1,4-dimethanol(826-45-9)
• EPA Substance Registry System: Bicyclo[2.2.2]octane-1,4-dimethanol(826-45-9)

Safety Data

• Hazardous Substances Data: 826-45-9(Hazardous Substances Data)

Usage

General Description

Bicyclo[2.2.2]octane-1,4-dimethanol is a chemical compound with the molecular formula C10H18O2. It is structured as two methanol groups attached to a bicyclo[2.2.2]octane ring system. This ring system is formed of three connected cyclohexane rings sharing two carbon atoms, creating a rigid structure. The compound is a member of the class of compounds known as dialkylglycerols. These are glycerol derivatives that contain two alkyl chains attached to the glycerol moiety through ether linkages. It is not widely studied, so its toxicity and industrial applications are not well-documented.

Upstream product

• 1659-75-2 Bicyclo<2.2.2.>octan-1,4-dicarbonsauere-ethylester 
• 830-28-4 1,4-bis(hydroxymethyl)bicyclo[2.2.2]octane-1,4-dione 
• 898-81-7 Bicyclo<2.2.2>octane-1,4-dimethanol p-Toluenesulfonate 
• 88412-20-8 Bicyclo<2.2.2>octane-1,4-dimethanol Bis(p-toluene-sulfonate) 
• 1686-98-2 2,5-Bis-ethylendimercapto-bicyclo<2,2,2>octan-1,4-dicarbonsaeure-diethylester 
• 41034-55-3 diethyl 2,5-bisdithianebicyclo[2.2.2]octane-1,4-dicarboxylate 
• 843-59-4 Diethyl 2,5-Dioxobicyclo<2.2.2>octane-1,4-dicarboxylate 
• 843-52-7 Aethylen-diketal von 1,4-Dihydroxymethyl-2,5-dioxo-bicyclo-<2,2,2>-octan 
• 787-07-5 diethyl 1,4-cyclohexanedione-2,5-dicarboxylate 
• 856-70-2 2,5-Di(ethylendioxy)-bicyclo<2.2.2>octan-1,4-dicarbonsaeurediethylester 
• 1194-44-1 1,4-dihydroxybicyclo[2.2.2]octane 
• 1459-96-7 dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate 
• 4982-20-1 1,4-dimethylidenecyclohexane 
• 10364-35-9 1,4-Diacetoxybicyclo<2.2.2>octane 

Downstream Products

• 711-02-4 1,4-bicyclo[2.2.2]octanedicarboxylic acid 
• 828-52-4 4-(hydroxymethyl)bicyclo[2.2.2]octane-1-carboxylic acid 
• 898-81-7 Bicyclo<2.2.2>octane-1,4-dimethanol p-Toluenesulfonate 
• 88412-20-8 Bicyclo<2.2.2>octane-1,4-dimethanol Bis(p-toluene-sulfonate) 
• 1659-75-2 Bicyclo<2.2.2.>octan-1,4-dicarbonsauere-ethylester 
• 1360998-95-3 C₂₂H₃₂O₄ 
• 1360998-94-2 C₂₁H₃₀O₄ 
• 1360998-99-7 C₂₈H₃₈O₅ 
• 1360999-00-3 C₂₇H₄₀O₅ 
• 1360999-01-4 C₂₈H₄₂O₅ 
• 1360999-02-5 C₂₉H₄₆O₄ 
• 1360999-03-6 C₃₀H₄₈O₄ 
• 1360998-96-4 C₂₁H₂₈O₄ 
• 1360998-97-5 C₂₂H₃₀O₄ 

Relevant articles and documents

Bis-quaternary ammonium compounds: derivatives and congeners of bicyclo(2.2.2)octane.

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Novel vitamin D receptor ligands bearing a spherical hydrophobic core structure-Comparison of bicyclic hydrocarbon derivatives with boron cluster derivatives

Vitamin D receptor (VDR) is a nuclear receptor for 1a,25-dihydroxyvitamin D3 (1a,25(OH)2D3), and is an attractive target for multiple clinical applications. We recently developed novel non-secosteroidal VDR ligands bearing a hydrophobic p-carborane cage,

New ultrahigh affinity host-guest complexes of cucurbit[7]uril with bicyclo[2.2.2]octane and adamantane guests: Thermodynamic analysis and evaluation of M2 affinity calculations

A dicationic ferrocene derivative has previously been shown to bind cucurbit[7]uril (CB[7]) in water with ultrahigh affinity (ΔGo= -21 kcal/mol). Here, we describe new compounds that bind aqueous CB[7] equally well, validating our prior suggestion that they, too, would be ultrahigh affinity CB[7] guests. The present guests, which are based upon either a bicyclo[2.2.2]octane or adamantane core, have no metal atoms, so these results also confirm that the remarkably high affinities of the ferrocene-based guest need not be attributed to metal-specific interactions. Because we used the M2 method to compute the affinities of several of the new host-guest systems prior to synthesizing them, the present results also provide for the first blinded evaluation of this computational method. The blinded calculations agree reasonably well with experiment and successfully reproduce the observation that the new adamantane-based guests achieve extremely high affinities, despite the fact that they position a cationic substituent at only one electronegative portal of the CB[7] host. However, there are also significant deviations from experiment, and these lead to the correction of a procedural error and an instructive evaluation of the sensitivity of the calculations to physically reasonable variations in molecular energy parameters. The new experimental and computational results presented here bear on the physical mechanisms of molecular recognition, the accuracy of the M2 method, and the usefulness of host-guest systems as test-beds for computational methods.