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CAS No.: | 6995-79-5 |
---|---|
Name: | TRANS-1,4-CYCLOHEXANEDIOL |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C6H12O2 |
Molecular Weight: | 116.16 |
Synonyms: | trans-1,4-Cyclohexanediol;trans-1,4-Dihydroxycyclohexane;trans-cyclohexane-1,4-diol;1,4-cyclohexanediol, trans-; |
Density: | 1.156 g/cm3 |
Melting Point: | 141-142 °C |
Boiling Point: | 252.4 °C at 760 mmHg |
Flash Point: | 65.6 °C |
PSA: | 40.46000 |
LogP: | 0.28220 |
trans-4-(benzyloxy)cyclohexanol
cyclohexane-1,4-diol
Conditions | Yield |
---|---|
With palladium on activated charcoal; hydrogen In ethanol at 20℃; under 760.051 Torr; for 16h; | 95% |
1,4-diacetoxycyclohexane
cyclohexane-1,4-diol
Conditions | Yield |
---|---|
With hydrogenchloride for 5h; Heating; | 88% |
Conditions | Yield |
---|---|
With 2,4-Dichlorophenoxyacetic acid; Caragana chamlagu; Sucrose In water at 25℃; for 336h; Microbiological reaction; | 53% |
Conditions | Yield |
---|---|
With mercury at 145℃; | |
With mercury at 150℃; | |
With sodium at 170℃; |
trans-2-cyclohexene-1,4-diol
cyclohexane-1,4-diol
Conditions | Yield |
---|---|
With methanol; platinum Hydrogenation; |
Conditions | Yield |
---|---|
With oxygen Hydrierung des Reaktionsprodukts in Aethanol und Aether an Palladium/Kohle und anschliessend an Platin; |
Conditions | Yield |
---|---|
With ethanol; nickel at 200℃; under 110326 Torr; Hydrogenation; | |
With methanol; nickel at 150℃; under 125036 Torr; Hydrogenation; | |
With nickel Hydrogenation; |
Conditions | Yield |
---|---|
With water; sodium hydrogencarbonate unter Durchleiten von CO2; cis-quinitol; |
7-oxabicyclo(2.2.1)heptane
A
cyclohexane-1,4-diol
B
cis-1,4-cyclohexanediol
C
Cyclohex-2-enol
D
3-cyclohexen-1-ol
Conditions | Yield |
---|---|
With perchloric acid at 24.9℃; Rate constant; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.); mechanism and solvent deuterium isotope effect in DClO4(D2O); |
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The trans-1,4-Cyclohexanediol, with the CAS registry number 6995-79-5, has the systematic name and IUPAC name of trans-cyclohexane-1,4-diol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H12O2.
The characteristics of trans-1,4-Cyclohexanediol are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 21.34; (5)ACD/KOC (pH 7.4): 21.34; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 40.46 Å2; (10)Index of Refraction: 1.526; (11)Molar Refractivity: 30.85 cm3; (12)Molar Volume: 100.4 cm3; (13)Polarizability: 12.23×10-24cm3; (14)Surface Tension: 40.7 dyne/cm; (15)Density: 1.156 g/cm3; (16)Flash Point: 65.6 °C; (17)Enthalpy of Vaporization: 56.9 kJ/mol; (18)Boiling Point: 252.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00301 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O[C@@H]1CC[C@@H](O)CC1
(2)InChI: InChI=1/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2/t5-,6-
(3)InChIKey: VKONPUDBRVKQLM-IZLXSQMJBS