1,2,3,4,5,6-Benzenehexol supplier

Name
CYCLOHEXANE
EINECS 203-806-2
CAS No. 608-80-0
Article Data19
CAS DataBase
Density 2.176 g/cm³
Solubility
Melting Point 4-7 °C(lit.)
Formula C₆H₆O₆
Boiling Point 659.6 °C at 760 mmHg
Molecular Weight 174.11
Flash Point 346.2 °C
Transport Information
Appearance
Safety 9-16-25-33-60-61-62
Risk Codes 11-38-50/53-65-67
Molecular Structure
Hazard Symbols F,Xn,N
Synonyms HEXAHYDROBENZENE;HEXANAPHTHALENE;HEXANAPHTHENE;HEXAMETHYLENE;HEXAHYDROXYBENZENE;CYCLOHEXANE-195;CYCLOHEXANE-205;NAPHTHENE
PSA 121.38000
LogP -0.07980

Synthetic route

: 87-89-8
D-myo-inositol

: 608-80-0
benzenehexol

Conditions

Conditions	Yield
With nitric acid

: 54890-03-8
dodecahydroxycyclohexane

: 608-80-0
benzenehexol

Conditions

Conditions	Yield
With hydrogenchloride; tin(ll) chloride

: 319-89-1
tetrahydroxy-1,4-quinone

: 608-80-0
benzenehexol

Conditions

Conditions	Yield
With hydrogenchloride; tin(ll) chloride
With hydrogenchloride; tin(ll) chloride for 1h; Heating;
With hydrogenchloride; tin(ll) chloride In water for 1h; Heating;
With titanium trifluoromethansulfonate; trifluorormethanesulfonic acid; hydrogen fluoride In water at 22℃; Kinetics;

: 319-89-1
tetrahydroxy-1,4-quinone

A: 608-80-0
benzenehexol

B: 5096-13-9
1-benzylnicotinamide chloride

Conditions

Conditions	Yield
With hydrogenchloride; 1-Benzyl-1,4-dihydronicotinamide 1) MeCN-H2O, room temp.; Yield given. Multistep reaction;

: 118-76-3
rhodizonic acid

A: 608-80-0
benzenehexol

B: 5096-13-9
1-benzylnicotinamide chloride

Conditions

Conditions	Yield
With hydrogenchloride; 1-Benzyl-1,4-dihydronicotinamide 1) MeCN-H2O, room temp.; Multistep reaction;

: 319-89-1
tetrahydroxy-1,4-quinone

: 7783-06-4
hydrogen sulfide

: 608-80-0
benzenehexol

: 319-89-1
tetrahydroxy-1,4-quinone

: 10034-85-2
hydrogen iodide

: 608-80-0
benzenehexol

: 7647-01-0
hydrogenchloride

: 319-89-1
tetrahydroxy-1,4-quinone

SnCl2: SnCl2

: 608-80-0
benzenehexol

...Expand

: 7647-01-0
hydrogenchloride

: 319-89-1
tetrahydroxy-1,4-quinone

tin: tin

: 608-80-0
benzenehexol

...Expand

: 319-89-1
tetrahydroxy-1,4-quinone

: 7664-93-9
sulfuric acid

zinc: zinc

: 608-80-0
benzenehexol

...Expand

2,3,5,6-tetrahydroxy-benzoquinone-(1,4): 2,3,5,6-tetrahydroxy-benzoquinone-(1,4)

: 608-80-0
benzenehexol

Conditions

Conditions	Yield
With hydrogenchloride; tin
With hydrogenchloride; tin(ll) chloride auf Siedetemperatur;
With ethanol; hydrogen iodide

carbon oxide potassium: carbon oxide potassium

: 608-80-0
benzenehexol

Conditions

Conditions	Yield
With hydrogenchloride

cyclohexanehexon octahydrate: cyclohexanehexon octahydrate

: 608-80-0
benzenehexol

Conditions

Conditions	Yield
With water; iron(II) sulfate; platinum Hydrogenation;
With hydrogenchloride; tin

: 527-31-1
hexaketocyclohexane

diluted aqueous FeSO4-solution: diluted aqueous FeSO4-solution

platinum: platinum

: 608-80-0
benzenehexol

Conditions

Conditions	Yield
Hydrogenation;

...Expand

: 7647-01-0
hydrogenchloride

: 527-31-1
hexaketocyclohexane

tin: tin

: 608-80-0
benzenehexol

...Expand

: 87-89-8
D-myo-inositol

: 7697-37-2
nitric acid

A: 608-80-0
benzenehexol

B: 488-86-8
croconic acid

C: 118-76-3
rhodizonic acid

D 2.3.5.6-tetrahydroxy-benzoquinone-1.4): 2.3.5.6-tetrahydroxy-benzoquinone-1.4)

...Expand

: 54890-03-8
dodecahydroxycyclohexane

: hydrogen trichloro-stannate(II)

: 608-80-0
benzenehexol

: 118-76-3
rhodizonic acid

: 608-80-0
benzenehexol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 70 percent / 1-benzyl-1,4-dihydronicotinamide / acetonitrile; H2O / Ambient temperature 2: 1) 1-benzyl-1,4-dihydronicotinamide, 2) aq. HCl / 1) MeCN-H2O, room temp. View Scheme

: K salt of hexahydroxybenzene

: 608-80-0
benzenehexol

Conditions

Conditions	Yield
With HCl; H2O decompn. with H2O, handling with dild.HCl;
With hydrogenchloride; water decompn. with H2O, handling with dild.HCl;

: 108345-45-5
3-oxaoctanoyl chloride

: 608-80-0
benzenehexol

: hexakis<(3-oxaoctanoyl)oxy>benzene

Conditions

Conditions	Yield
at 110℃; for 12h;	99%

: 4244-62-6
4-oxaoctanoyl chloride

: 608-80-0
benzenehexol

: 108345-39-7
hexakis<(4-oxaoctanoyl)oxy>benzene

Conditions

Conditions	Yield
at 110℃; under 100 Torr; for 12h;	87%

: 608-80-0
benzenehexol

: 189456-61-9
4'-dimethylthexylsilyloxy-biphenyl-4-carboxylic acid

: C132H162O18Si6

Conditions

Conditions	Yield
With (2-chloropropyl)dimethylamine hydrochloride; 4-(dimethylamino)pyridinium tosylate In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2h;	70%
With 4-(dimethylamino)pyridinium tosylate; diisopropyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2h;	70%

: 75-77-4
chloro-trimethyl-silane

: 608-80-0
benzenehexol

: 29207-52-1
hexakis(trimethylsilyloxy)benzene

Conditions

Conditions	Yield
With triethylamine In toluene at 20℃; for 12h;	65%

: 608-80-0
benzenehexol

: 3-Pentylsulfanyl-propionyl chloride

: 108345-42-2
hexakis<(3-thiaoctanoyl)oxy>benzene

Conditions

Conditions	Yield
at 110℃; for 12h;	64%

: 109-99-9
tetrahydrofuran

: 75-44-5
phosgene

: 608-80-0
benzenehexol

: hexahydroxybenzene triscarbonate

Conditions

Conditions	Yield
for 8h; Heating;	47.2%

...Expand

: 608-80-0
benzenehexol

A: 319-89-1
tetrahydroxy-1,4-quinone

B: 4358-87-6
(RS)-methyl mandelate

Conditions

Conditions	Yield
With methyl 2-oxo-2-phenylacetate In water; acetonitrile Ambient temperature;	A 37% B 40%

: 608-80-0
benzenehexol

: 108345-46-6
5-oxaoctanoyl chloride

: 108345-40-0
hexakis<(5-oxaoctanoyl)oxy>benzene

Conditions

Conditions	Yield
In decalin at 120℃; for 12h;	23%

: 6092-54-2
n-hexyl chloroformate

: 608-80-0
benzenehexol

: 108345-37-5
hexakis<(2-oxaoctanoyl)oxy>benzene

Conditions

Conditions	Yield
at 120℃; for 8h;	22%

: 608-80-0
benzenehexol

: 108345-47-7
2-methoxyoctanoyl chloride

: 108345-43-3
hexakis<(2-methoxyoctanoyl)oxy>benzene

Conditions

Conditions	Yield
With pyridine In decalin at 80 - 105℃; for 24h;	15%

: 608-80-0
benzenehexol

: 41639-69-4
6-methoxyhexanoyl chloride

: 108345-41-1
hexakis<(7-oxaoctanoyl)oxy>benzene

Conditions

Conditions	Yield
at 110℃; for 7h;	14%

: 186581-53-3, 908094-01-9
diazomethane

: 608-80-0
benzenehexol

: 22015-34-5
hexamethoxy-benzene

Conditions

Conditions	Yield
With methanol

: 110-86-1
pyridine

: 106-43-4
para-chlorotoluene

: 608-80-0
benzenehexol

: hexakis-p-toluoyloxy-benzene

...Expand

: 106-31-0
butanoic acid anhydride

: 608-80-0
benzenehexol

: 20129-67-3
hexakis-butyryloxy-benzene

Conditions

Conditions	Yield
With zinc

: 1519-23-9
2-methylbutanoic anhydride

: 608-80-0
benzenehexol

: hexakis-(2-methyl-butyryloxy)-benzene

: 626-27-7
n-heptanoic anhydride

: 608-80-0
benzenehexol

: 65201-70-9
Benzene-hexa-n-heptanoate

: 2082-59-9
pentanoic anhydride

: 608-80-0
benzenehexol

: 65201-68-5
benzene-hexa-n-pentanoate

: 2082-77-1
undecanoic acid anhydride

: 608-80-0
benzenehexol

: hexakis-undecanoyloxy-benzene

Conditions

Conditions	Yield
at 230 - 250℃;

: 608-80-0
benzenehexol

: 108-73-6
3,5-dihydroxyphenol

Conditions

Conditions	Yield
With sodium amalgam; water unter Wasserstoff auf dem Dampfbad;
With water; platinum at 50 - 55℃; Hydrogenation;

: 608-80-0
benzenehexol

: 319-89-1
tetrahydroxy-1,4-quinone

Conditions

Conditions	Yield
With air; sodium carbonate man zersetzt das entstandenen Natriumsalz durch Kochen mit verd.Salzsaeure;
With air; water
With air; ethanol

: 608-80-0
benzenehexol

: 87-89-8
D-myo-inositol

Conditions

Conditions	Yield
With water; hydrogen; palladium at 50 - 55℃;
With ethanol; nickel at 125℃; under 95616 Torr; Hydrogenation;
With water; palladium at 20℃; Hydrogenation.sowie bei 55grad;

: 608-80-0
benzenehexol

: 576-63-6
cis-inositol

Conditions

Conditions	Yield
With ethanol; nickel at 125℃; under 95616 Torr; Hydrogenation;

: 608-80-0
benzenehexol

: 527-39-9
cis-quercitol

Conditions

Conditions	Yield
With ethanol; nickel at 120 - 140℃; under 110326 Torr; Hydrogenation;

: 608-80-0
benzenehexol

: 488-59-5
myo-inositol

Conditions

Conditions	Yield
With ethanol; nickel at 125℃; under 95616 Torr; Hydrogenation;

: 608-80-0
benzenehexol

: 527-42-4
1-deoxy-scyllo-inositol

Conditions

Conditions	Yield
With ethanol; nickel at 120 - 140℃; under 110326 Torr; Hydrogenation;

: 608-80-0
benzenehexol

: 54890-03-8
dodecahydroxycyclohexane

Conditions

Conditions	Yield
With nitric acid
With chlorine

: 608-80-0
benzenehexol

: 488-73-3, 488-74-4, 488-76-6, 527-39-9, 527-42-4, 3411-22-1, 17278-12-5, 19776-68-2, 19776-71-7, 19776-72-8, 19776-73-9, 26671-58-9, 38653-82-6, 38836-69-0, 40617-62-7, 60802-79-1, 62076-18-0, 78148-00-2, 81369-59-7, 81369-61-1, 81369-62-2, 81369-63-3, 81623-40-7, 81623-43-0, 90899-07-3, 126108-74-5, 131435-06-8
epi-quercitol

Conditions

Conditions	Yield
With water; nickel at 120 - 140℃; under 110326 Torr; Hydrogenation;
With water; palladium at 20℃; Hydrogenation;

: 608-80-0
benzenehexol

: 108-24-7
acetic anhydride

: 20129-65-1
hexaacetylhexahydroxybenzene

Conditions

Conditions	Yield
With sodium acetate; zinc
With sodium acetate

1,2,3,4,5,6-Benzenehexol Specification

The 1,2,3,4,5,6-Benzenehexol is an organic compound with the formula C₆H₆O₆. The IUPAC name of this chemical is benzene-1,2,3,4,5,6-hexol. With the CAS registry number 608-80-0, it is also named as Benzene, hexahydroxy-. Besides, it should be stored in a closed cool and dry place.

Physical properties about 1,2,3,4,5,6-Benzenehexol are: (1)ACD/LogP: -1.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -1.61; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.19; (8)ACD/KOC (pH 7.4): 3.14; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.38 Å²; (13)Index of Refraction: 1.911; (14)Molar Refractivity: 37.54 cm³; (15)Molar Volume: 80 cm³; (16)Polarizability: 14.88×10^-24cm³; (17)Surface Tension: 190.7 dyne/cm; (18)Density: 2.176 g/cm³; (19)Flash Point: 346.2 °C; (20)Enthalpy of Vaporization: 100.59 kJ/mol; (21)Boiling Point: 659.6 °C at 760 mmHg; (22)Vapour Pressure: 5.26E-18 mmHg at 25°C.

Uses of 1,2,3,4,5,6-Benzenehexol: it can be used to produce hydroxy-phenyl-acetic acid methyl ester andtetrahydroxy-[1,4]benzoquinone at ambient temperature. It will need reagent methyl benzoylformate and solvents acetonitrile, H₂O. The yield is about 37%.

1,2,3,4,5,6-Benzenehexol can be used to produce hydroxy-phenyl-acetic acid methyl ester andtetrahydroxy-[1,4]benzoquinone

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Please keep away from sources of ignition - No smoking and take precautionary measures against static discharges. Besides, this chemical is irritating to skin and may cause lung damage if swallowed. It is vapours may cause drowsiness and dizziness. When you are using it, avoid contact with eyes and avoid release to the environment. Refer to special instructions/safety data sheet. This material and its container must be disposed of as hazardous waste. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(O)c(O)c(O)c(O)c1O
(2)InChI: InChI=1/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H
(3)InChIKey: VWPUAXALDFFXJW-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H
(5)Std. InChIKey: VWPUAXALDFFXJW-UHFFFAOYSA-N

Product Name

CYCLOHEXANE

Synthetic route

1,2,3,4,5,6-Benzenehexol Specification

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