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Basic Information
CAS No.: 526-95-4
Name: Gluconic acid
Molecular Structure:
Molecular Structure of 526-95-4 (Gluconic acid)
Formula: C6H12O7
Molecular Weight: 196.157
Synonyms: Gluconicacid, D- (8CI);Dextronic acid;Glycogenic acid;Glyconic acid;Maltonic acid;NSC 77381;Pentahydroxycaproic acid;D-Gluconic acid;
EINECS: 208-401-4
Density: 1.763 g/cm3
Melting Point: 15 °C
Boiling Point: 673.6 °C at 760 mmHg
Flash Point: 375.2 °C
Solubility: Soluble in water.
Appearance: clear yellow to brownish-yellow solution
Hazard Symbols: IrritantXi; CorrosiveC
Risk Codes: 36/37/38-34
Safety: 26-45-36/37/39
Transport Information: UN 3265
PSA: 138.45000
LogP: -3.49310
Synthetic route
492-61-5

β-D-glucose

526-95-4

gluconic acid

Conditions
ConditionsYield
With water; oxygen at 83.84℃; under 3750.38 Torr; for 6h; Autoclave;99%
With 4-methanesulfonyl-2,2,6,6-tetramethyl-1-piperidinyloxy radical; manganese(II) nitrate; oxygen In water at 80℃; under 7500.75 Torr; for 18h; Reagent/catalyst; Pressure; Temperature;82.4%
With Au/Al2O3; dihydrogen peroxide In water at 120℃; for 0.166667h; Sealed tube; Microwave irradiation;76%
50-99-7

D-glucose

526-95-4

gluconic acid

Conditions
ConditionsYield
With sodium carbonate In water at 30℃; for 40h; Wavelength; Irradiation;99%
With oxygen; sodium carbonate In water at 24.84℃; under 750.075 Torr; for 2h; pH=< 9; Catalytic behavior; Reagent/catalyst;99%
With 5% Pd/C; water; oxygen; sodium carbonate at 20℃; under 760.051 Torr; for 2h; Reagent/catalyst;98%
492-62-6

alpha-D-glucopyranose

526-95-4

gluconic acid

Conditions
ConditionsYield
With dihydrogen peroxide; iron(II) sulfate In water at 22.5℃; for 0.25h; Temperature; Reagent/catalyst; Irradiation; Green chemistry;97%
With carbon dioxide; bromine; barium carbonate ueber das δ-Lacton;
With chromium (VI); pyridinium p-toluenesulfonate In acidic aq. solution at 30℃; Kinetics; Oxidation;
13360-52-6

Cellobiose

526-95-4

gluconic acid

Conditions
ConditionsYield
With water; oxygen at 144.84℃; under 3750.38 Torr; for 3h; Autoclave;97%
492-62-6

alpha-D-glucopyranose

A

57-48-7

D-Fructose

B

526-95-4

gluconic acid

Conditions
ConditionsYield
With dihydrogen peroxide; iron(II) sulfate In water at 70℃; for 0.25h; Temperature; Reagent/catalyst; Green chemistry;A 7%
B 84%
50-99-7

D-glucose

A

57-48-7

D-Fructose

B

526-95-4

gluconic acid

Conditions
ConditionsYield
With oxygen In water at 50℃; under 750.075 Torr; for 12h; Catalytic behavior; Time; Autoclave; Green chemistry;A 8%
B 83%
5965-66-2

LACTOSE

526-95-4

gluconic acid

Conditions
ConditionsYield
With Aspergillus oryzae β-galactosidase immobilized onto amino-terminated Ni0.5Zn0.5-Fe2O4 magnetic nanoparticles In aq. phosphate buffer at 43.5℃; for 72h; pH=6.7; Reagent/catalyst; Concentration; Enzymatic reaction;79.57%
13360-52-6

Cellobiose

A

79-14-1

glycolic Acid

B

526-95-4

gluconic acid

C

110-15-6

succinic acid

D

144-62-7

oxalic acid

E

64-19-7

acetic acid

Conditions
ConditionsYield
With carbon nanotube supported gold nanoparticles (0.5 wt%); water; oxygen at 145℃; under 7500.75 Torr; for 3h;A n/a
B 70%
C n/a
D n/a
E n/a
5965-66-2

LACTOSE

A

526-95-4

gluconic acid

B

C18H32O17

Conditions
ConditionsYield
With Aspergillus oryzae β-galactosidase immobilized onto amino-terminated Ni0.5Zn0.5-Fe2O4 magnetic nanoparticles In aq. phosphate buffer at 43.5℃; for 72h; pH=6.7; Reagent/catalyst; Concentration; Enzymatic reaction;A 68.33%
B 27.4%
13360-52-6

Cellobiose

A

79-14-1

glycolic Acid

B

50-99-7

D-glucose

C

526-95-4

gluconic acid

D

110-15-6

succinic acid

E

144-62-7

oxalic acid

F

64-19-7

acetic acid

Conditions
ConditionsYield
With carbon nanotube supported gold nanoparticles (0.5 wt%); water; oxygen at 145℃; under 3750.38 Torr; for 3h;A n/a
B n/a
C 68%
D n/a
E n/a
F n/a
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    Product Name: Gluconic acid CAS: 526-95-4 MF: C6H12O7 MW: 196.16 EINECS: 208-401-4 Mol File: 526-95-4.mol Gluconic acid Structure Gluconic acid Chemical Properties Melting point 15 °C alpha D20 -6.7° (c = 1) Boilin

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Specification

The Gluconic acid, with the CAS registry number 526-95-4 and EINECS registry number 208-401-4, has the systematic name of D-gluconic acid. It is a kind of clear yellow to brownish-yellow solution, and belongs to the product categories: Biochemistry; Glucose; Sugar Acids; Sugars; Dextrins、Sugar & Carbohydrates. Gluconic acid occurs naturally in fruit, honey, kombucha tea, and wine. And the molecular formula of this chemical is C6H12O7.

The physical properties of Gluconic acid are as following: (1)ACD/LogP: -3.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.88; (4)ACD/LogD (pH 7.4): -6.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 72.45 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 38.91 cm3; (15)Molar Volume: 111.2 cm3; (16)Polarizability: 15.42×10-24cm3; (17)Surface Tension: 116.9 dyne/cm; (18)Density: 1.763 g/cm3; (19)Flash Point: 375.2 °C; (20)Enthalpy of Vaporization: 113.2 kJ/mol; (21)Boiling Point: 673.6 °C at 760 mmHg; (22)Vapour Pressure: 4.95E-21 mmHg at 25°C. 

Preparation and uses of Gluconic acid: It can be prepared by 3 ways. (1)It can be obtained by the decomposition of calcium gluconate or sodium gluconate with sulfuric acid or oxalic acid; (2) It is obtained by the electrolytic oxidation of glucose in the alkaline solution. (3)It can be obtained by the fermentation of glucose. What's more, it is used as acidity regulators. And it is also used in cleaning products where it dissolves mineral deposits especially in alkaline solution.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
(3)InChIKey: RGHNJXZEOKUKBD-SQOUGZDYBY