trans-1,4-Cyclohexanediol supplier

Name
TRANS-1,4-CYCLOHEXANEDIOL
EINECS
CAS No. 6995-79-5
Article Data34
CAS DataBase
Density 1.156 g/cm³
Solubility
Melting Point 141-142 °C
Formula C₆H₁₂O₂
Boiling Point 252.4 °C at 760 mmHg
Molecular Weight 116.16
Flash Point 65.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms trans-1,4-Cyclohexanediol;trans-1,4-Dihydroxycyclohexane;trans-cyclohexane-1,4-diol;1,4-cyclohexanediol, trans-;
PSA 40.46000
LogP 0.28220

Synthetic route

: 127074-29-7
trans-4-(benzyloxy)cyclohexanol

: 6995-79-5
cyclohexane-1,4-diol

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen In ethanol at 20℃; under 760.051 Torr; for 16h;	95%

: 6289-83-4, 42742-00-7, 19843-75-5
1,4-diacetoxycyclohexane

: 6995-79-5
cyclohexane-1,4-diol

Conditions

Conditions	Yield
With hydrogenchloride for 5h; Heating;	88%

: 637-88-7
1,4-Cyclohexanedione

: 6995-79-5
cyclohexane-1,4-diol

Conditions

Conditions	Yield
With 2,4-Dichlorophenoxyacetic acid; Caragana chamlagu; Sucrose In water at 25℃; for 336h; Microbiological reaction;	53%

: 931-71-5
cis-1,4-cyclohexanediol

: 6995-79-5
cyclohexane-1,4-diol

Conditions

Conditions	Yield
With mercury at 145℃;
With mercury at 150℃;
With sodium at 170℃;

: 41513-32-0
trans-2-cyclohexene-1,4-diol

: 6995-79-5
cyclohexane-1,4-diol

Conditions

Conditions	Yield
With methanol; platinum Hydrogenation;

: 1165952-91-9
cyclohexa-1,3-diene

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

Conditions

Conditions	Yield
With oxygen Hydrierung des Reaktionsprodukts in Aethanol und Aether an Palladium/Kohle und anschliessend an Platin;

: 123-31-9
hydroquinone

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

Conditions

Conditions	Yield
With ethanol; nickel at 200℃; under 110326 Torr; Hydrogenation;
With methanol; nickel at 150℃; under 125036 Torr; Hydrogenation;
With nickel Hydrogenation;

: 637-88-7
1,4-Cyclohexanedione

A: 556-48-9
1,4-Cyclohexanediol

B: 6995-79-5
cyclohexane-1,4-diol

Conditions

Conditions	Yield
With water; sodium hydrogencarbonate unter Durchleiten von CO2; cis-quinitol;

: 279-49-2
7-oxabicyclo(2.2.1)heptane

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

C: 822-67-3
Cyclohex-2-enol

D: 822-66-2, 72137-22-5
3-cyclohexen-1-ol

Conditions

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);

...Expand

: 64-17-5
ethanol

: 123-31-9
hydroquinone

nickel: nickel

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

Conditions

Conditions	Yield
at 130℃; unter Druck.Hydrogenation;

...Expand

: 7732-18-5
water

: 123-31-9
hydroquinone

nickel: nickel

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

Conditions

Conditions	Yield
at 130℃; unter Druck.Hydrogenation;

...Expand

: 124-38-9
carbon dioxide

: 637-88-7
1,4-Cyclohexanedione

sodium amalgam: sodium amalgam

NaHCO3: NaHCO3

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

...Expand

: 123-31-9
hydroquinone

hydrogen: hydrogen

nickel: nickel

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

C: 108-93-0
cyclohexanol

D: 108-95-2
phenol

Conditions

Conditions	Yield
at 170℃;

...Expand

: 931-71-5
cis-1,4-cyclohexanediol

mercury: mercury

: 6995-79-5
cyclohexane-1,4-diol

Conditions

Conditions	Yield
at 145℃;

: 931-71-5
cis-1,4-cyclohexanediol

sodium: sodium

: 6995-79-5
cyclohexane-1,4-diol

Conditions

Conditions	Yield
at 170℃;

cyclohexanediene-(1.3): cyclohexanediene-(1.3)

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

Conditions

Conditions	Yield
With oxygen Hydrierung des Reaktionsprodukts in Aethanol und Aether an Palladium/Kohle und anschliessend an Platin;

: 123-31-9
hydroquinone

A: 6995-79-5
cyclohexane-1,4-diol

B cis-cyclohexanediol-(1.4), cyclohexane, cyclohexanol: cis-cyclohexanediol-(1.4), cyclohexane, cyclohexanol

Conditions

Conditions	Yield
With methanol; nickel at 150℃; under 110326 Torr; Hydrogenation;

: 7647-01-0
hydrogenchloride

: 67-66-3
chloroform

: trans-1.4-bis-triphenylmethoxy-cyclohexane

: 6995-79-5
cyclohexane-1,4-diol

...Expand

: 7647-01-0
hydrogenchloride

: trans-1.4-bis-triphenylmethoxy-cyclohexane

: 67-64-1
acetone

: 6995-79-5
cyclohexane-1,4-diol

...Expand

: 7647-01-0
hydrogenchloride

: trans-1.4-bis-triphenylmethoxy-cyclohexane

: 71-43-2
benzene

: 6995-79-5
cyclohexane-1,4-diol

...Expand

: 108-93-0
cyclohexanol

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

C: 13482-22-9
4-hydroxycyclohexanone

D: trans-4-hydroxycyclohexyl hydroperoxide

Conditions

Conditions	Yield
With oxygen at 129.85℃; Kinetics; Product distribution;

...Expand

: 556-48-9
1,4-Cyclohexanediol

: 6995-79-5
cyclohexane-1,4-diol

Conditions

Conditions	Yield
In acetone Heating;	3.49 g
Multi-step reaction with 2 steps 1: 31 percent / pyridine / 24 h / Ambient temperature 2: 88 percent / 6 N aq. HCl / 5 h / Heating View Scheme

: 787-07-5
diethyl 1,4-cyclohexanedione-2,5-dicarboxylate

: 6995-79-5
cyclohexane-1,4-diol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: concentrated sulfuric acid 2: NaHCO3; water / unter Durchleiten von CO2 View Scheme

: 123-31-9
hydroquinone

: 6995-79-5
cyclohexane-1,4-diol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: nickel catalyst; ethanol / 130 - 200 °C / 22065.2 Torr / Hydrogenation 2: mercury / 145 °C View Scheme
With hydrogen at 85℃; under 22801.5 Torr; for 2h; Catalytic behavior; Reagent/catalyst; Autoclave;

: 87-87-6
2,3,5,6-tetrachlorobenzene-1,4-diol

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

Conditions

Conditions	Yield
With potassium hydroxide; Raney Ni-Al alloy In water at 90℃; for 7h;

: 583-69-7
2-bromobenzene-1,4-diol

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

Conditions

Conditions	Yield
With potassium hydroxide; Raney Ni-Al alloy In water at 90℃; for 7h;

: 2641-89-6
2,3,5,6-tetrabromohydroquinone

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

Conditions

Conditions	Yield
With potassium hydroxide; Raney Ni-Al alloy In water at 90℃; for 10h;

: 14753-51-6
2,5-dibromohydroquinone

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

Conditions

Conditions	Yield
With potassium hydroxide; Raney Ni-Al alloy In water at 90℃; for 7h;

: 615-67-8
chloro-p-hydroquinone

A: 6995-79-5
cyclohexane-1,4-diol

B: 931-71-5
cis-1,4-cyclohexanediol

Conditions

Conditions	Yield
With potassium hydroxide; Raney Ni-Al alloy In water at 90℃; for 8h;

: 6995-79-5
cyclohexane-1,4-diol

: 16331-46-7
4-ethoxybenzoylchloride

: trans-1,4-bis-(4-ethoxybenzoyloxy)-cyclohexane

Conditions

Conditions	Yield
In pyridine Ambient temperature;	96%

: 6995-79-5
cyclohexane-1,4-diol

: 874-60-2
4-methyl-benzoyl chloride

: trans-1,4-bis-(4-methylbenzoyloxy)-cyclohexane

Conditions

Conditions	Yield
In pyridine Ambient temperature;	95%

: 6995-79-5
cyclohexane-1,4-diol

: 36823-84-4
4-pentyloxybenzoyl chloride

: trans-1,4-cyclohexylene bis(4-pentyloxybenzoate)

Conditions

Conditions	Yield
With pyridine; dmap at 80℃; for 10h;	94%

: 6995-79-5
cyclohexane-1,4-diol

: 100-07-2
4-methoxy-benzoyl chloride

: 27857-02-9
trans-1,4-bis-(4-methoxybenzoyloxy)-cyclohexane

Conditions

Conditions	Yield
In pyridine Ambient temperature;	85%
With pyridine

: 6995-79-5
cyclohexane-1,4-diol

: 18162-48-6
tert-butyldimethylsilyl chloride

: trans-1,4-bis[(tert-butyl-dimethylsilyl)oxy]cyclohexane

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide	84%

: 6995-79-5
cyclohexane-1,4-diol

: 49763-65-7
4-pentylbenzoyl chloride

: trans-1,4-bis-(4-n-pentylbenzoyloxy)-cyclohexane

Conditions

Conditions	Yield
In pyridine Ambient temperature;	83%

: 6995-79-5
cyclohexane-1,4-diol

: 50606-97-8
p-n-octylbenzoyl chloride

: trans-1,4-bis-(4-n-octylbenzoyloxy)-cyclohexane

Conditions

Conditions	Yield
In pyridine Ambient temperature;	82%

: 75-77-4
chloro-trimethyl-silane

: 6995-79-5
cyclohexane-1,4-diol

: 29753-62-6
trans-1,4-bis[(trimethylsily)oxy]cyclohexane

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide	82%

: 6995-79-5
cyclohexane-1,4-diol

: 41696-88-2
4-hexadecyloxybenzoyl chloride

: trans-1,4-bis-(4-n-hexadecyloxybenzoyloxy)-cyclohexane

Conditions

Conditions	Yield
In pyridine Ambient temperature;	80%

: 6995-79-5
cyclohexane-1,4-diol

: 18162-48-6
tert-butyldimethylsilyl chloride

: 103202-63-7
(1r,4r)-4-((tert-butyldimethylsilyl)oxy)cyclohexan-1-ol

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 3h;	80%
With 1H-imidazole In N,N-dimethyl-formamide at 0℃; for 1h;	65%
With 1H-imidazole In dichloromethane at 20℃; for 24h;	41%

: 13154-24-0
triisopropylsilyl chloride

: 6995-79-5
cyclohexane-1,4-diol

: trans-1,4-bis[(triisopropylsilyl)oxy]cyclohexane

Conditions

Conditions	Yield
With 1H-imidazole	72%

: 6995-79-5
cyclohexane-1,4-diol

: 1194-02-1
4-fluorobenzonitrile

: 4-(((1s,4s)-4-hydroxycyclohexyl)oxy)benzonitrile

Conditions

Conditions	Yield
Stage #1: cyclohexane-1,4-diol With sodium hydride In dimethyl sulfoxide; mineral oil at 0℃; for 0.25h; Inert atmosphere; Stage #2: 4-fluorobenzonitrile In dimethyl sulfoxide; mineral oil at 20℃; for 1h; Inert atmosphere;	71.4%

: 6995-79-5
cyclohexane-1,4-diol

: 194853-86-6
4-fluoro-2-(trifluoromethyl)benzonitrile

: 1258838-30-0
4-(4-hydroxy-cyclohexyloxy)-2-trifluoromethylbenzonitrile

Conditions

Conditions	Yield
With sodium hydride In dimethyl sulfoxide; mineral oil at 20℃; for 1h;	60%

: 6995-79-5
cyclohexane-1,4-diol

: 58479-61-1
tert-butylchlorodiphenylsilane

: trans-1,4-bis[(tert-butyldiphenylsilyl)oxy]cyclohexane

Conditions

Conditions	Yield
With 1H-imidazole; dmap In N,N-dimethyl-formamide	56%

: 994-30-9
triethylsilyl chloride

: 6995-79-5
cyclohexane-1,4-diol

: trans-1,4-bis[(triethylsilyl)oxy]cyclohexane

Conditions

Conditions	Yield
With 1H-imidazole	55%

: 6995-79-5
cyclohexane-1,4-diol

: 1194-02-1
4-fluorobenzonitrile

: 4-(((1r,4r)-4-hydroxycyclohexyl)oxy)benzonitrile

Conditions

Conditions	Yield
Stage #1: cyclohexane-1,4-diol With sodium hydride In dimethyl sulfoxide; mineral oil at 0℃; for 0.25h; Inert atmosphere; Stage #2: 4-fluorobenzonitrile In dimethyl sulfoxide; mineral oil at 20℃; for 1h; Inert atmosphere;	50%

: 6995-79-5
cyclohexane-1,4-diol

: 122-04-3
4-nitro-benzoyl chloride

: 54900-10-6
trans-1,4-Cyclohexan-bis(p-nitrobenzoat)

Conditions

Conditions	Yield
With pyridine for 24h;	48%

: 76-86-8
Triphenylsilyl chloride

: 6995-79-5
cyclohexane-1,4-diol

: trans-1,4-bis[(triphenylsilyl)oxy]cyclohexane

Conditions

Conditions	Yield
With pyridine at 20℃; for 144h;	46%

: 6995-79-5
cyclohexane-1,4-diol

: 13091-23-1
4-chloro-3-nitropyridine

: C11H14N2O4

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 2h;	46%
Stage #1: cyclohexane-1,4-diol With sodium hydride In N,N-dimethyl-formamide at 0℃; Stage #2: 4-chloro-3-nitropyridine In N,N-dimethyl-formamide at 0 - 20℃; for 2h;	46%

: 6995-79-5
cyclohexane-1,4-diol

: 7-(2-fluoropyridin-4-yl)-4-(2-methoxyphenyl)-3,4-dihydro-2H-pyrano[2',3':4,5]imidazo[1,2-a]pyridine

: trans-4-((4-(4-(2-methoxyphenyl)-3,4-dihydro-2H-pyrano[2',3':4,5]imidazo[1,2-a]pyridin-7-yl)pyridin-2-yl)oxy)cyclohexanol

Conditions

Conditions	Yield
Stage #1: cyclohexane-1,4-diol With sodium hydride In N,N-dimethyl-formamide at 20℃; for 0.166667h; Inert atmosphere; Stage #2: 7-(2-fluoropyridin-4-yl)-4-(2-methoxyphenyl)-3,4-dihydro-2H-pyrano[2',3':4,5]imidazo[1,2-a]pyridine In N,N-dimethyl-formamide at 120℃; for 1.75h;	44%

: 6995-79-5
cyclohexane-1,4-diol

: 822-66-2, 72137-22-5
3-cyclohexen-1-ol

Conditions

Conditions	Yield
With sulfuric acid	38%

: 6995-79-5
cyclohexane-1,4-diol

: 393-09-9
4-fluoro-1-nitro-2-trifluoromethyl-benzene

: 1258838-29-7
4-(4-nitro-3-trifluoromethylphenoxy)cyclohexanol

Conditions

Conditions	Yield
With sodium hydride In dimethyl sulfoxide; mineral oil at 20 - 50℃;	36%

: 6995-79-5
cyclohexane-1,4-diol

: 4-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-ethylsulfonylphenyl]-2-methylisoquinolin-1-one

: 4-[5-ethylsulfonyl-2-(trans-4-hydroxycyclohexyl)oxyphenyl]-2-methylisoquinolin-1-one

Conditions

Conditions	Yield
Stage #1: cyclohexane-1,4-diol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 1h; Stage #2: 4-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-ethylsulfonylphenyl]-2-methylisoquinolin-1-one In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 18.5h;	30%

: 6995-79-5
cyclohexane-1,4-diol

: 2524-64-3
chlorophosphoric acid diphenyl ester

: Phosphoric acid 4-hydroxy-cyclohexyl ester diphenyl ester

Conditions

Conditions	Yield
With pyridine; dmap Ambient temperature;	23%

: 142-08-5
2-hydroxypyridin

: 6995-79-5
cyclohexane-1,4-diol

: (1s,4s)-4-(pyridin-2-yloxy)cyclohexan-1-ol

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran	20.38%

: 6995-79-5
cyclohexane-1,4-diol

: 63294-76-8
6-<(tetrahydro-2H-pyran-2-yl)oxy>hexyl toluene-4-sulfonate

: 180306-25-6
4-[6-(Tetrahydro-pyran-2-yloxy)-hexyloxy]-cyclohexanol

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 55℃; for 1h; other reagent: sodium hydride;	20%

: 6995-79-5
cyclohexane-1,4-diol

: 50909-50-7
4-dodecyloxybenzoyl chloride

: trans-1,4-bis-(4-n-dodecyloxybenzoyloxy)-cyclohexane

Conditions

Conditions	Yield
In pyridine Ambient temperature;	18%

trans-1,4-Cyclohexanediol Specification

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

Product Name

TRANS-1,4-CYCLOHEXANEDIOL

Synthetic route

trans-1,4-Cyclohexanediol Specification

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