Product Name

  • Name

    Gallic acid monohydrate

  • EINECS 205-749-9
  • CAS No. 5995-86-8
  • Density 1.694 g/cm3
  • Solubility 15 g/l (20 °C ) in water
  • Melting Point 252 °C (dec.)(lit.)
  • Formula C7H8O6
  • Boiling Point 596.6 °C at 760 mmHg
  • Molecular Weight 188.137
  • Flash Point 314.6 °C
  • Transport Information
  • Appearance off-white to beige powder
  • Safety 26-36-24/25
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 5995-86-8 (Gallic acid monohydrate)
  • Hazard Symbols IrritantXi
  • Synonyms Benzoicacid, 3,4,5-trihydroxy-, monohydrate (9CI);Gallic acid, monohydrate (8CI);Callic acid;
  • PSA 107.22000
  • LogP 0.43730

Synthetic route

pyridine-4-carbonitrile
100-48-1

pyridine-4-carbonitrile

3,4,5-trihydroxybenzoic acid monohydrate
5995-86-8

3,4,5-trihydroxybenzoic acid monohydrate

C7H6O5*C6H4N2

C7H6O5*C6H4N2

Conditions
ConditionsYield
In methanol; water for 1h; Reflux;67%
3,4,5-trihydroxybenzoic acid monohydrate
5995-86-8

3,4,5-trihydroxybenzoic acid monohydrate

dimethyl sulfate
77-78-1

dimethyl sulfate

3,4,5-trimethoxybenzoic acid methyl ester
1916-07-0

3,4,5-trimethoxybenzoic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide for 7h; Ambient temperature;32.7 g
iron(II) chloride tetrahydrate

iron(II) chloride tetrahydrate

3,4,5-trihydroxybenzoic acid monohydrate
5995-86-8

3,4,5-trihydroxybenzoic acid monohydrate

iron(III) 3,4,5-trihydroxybenzoate dihydrate

iron(III) 3,4,5-trihydroxybenzoate dihydrate

Conditions
ConditionsYield
In potassium hydroxide aq. KOH; other Radiation; Fe salt and C6H2(OH)3CO2H*H2O dissolved in aq. KOH, stirred in a microwave reactor for 10 min, heated at 150°C for 4 h; filtered, washed (H2O), dried for 1 h at 60°C;
iron(II) chloride tetrahydrate

iron(II) chloride tetrahydrate

water-d2
7789-20-0

water-d2

3,4,5-trihydroxybenzoic acid monohydrate
5995-86-8

3,4,5-trihydroxybenzoic acid monohydrate

Fe(3+)*C6(2)H2O2(O(2)H)CO2(3-)*2(2)H2O=FeC6(2)H2O2(O(2)H)CO2*2(2)H2O

Fe(3+)*C6(2)H2O2(O(2)H)CO2(3-)*2(2)H2O=FeC6(2)H2O2(O(2)H)CO2*2(2)H2O

Conditions
ConditionsYield
With KOH In water-d2 other Radiation; Fe salt and C6H2(OH)3CO2H*H2O dissolved in a D2O soln. of KOH, stirred in a microwave reactor for 10 min, heated at 150°C for 4 h; placedin a vial inside an autoclavable jar contg. D2O and heated at 80.degree .C for 2 d;
...Expand
nickel(II) chloride tetrahydrate

nickel(II) chloride tetrahydrate

3,4,5-trihydroxybenzoic acid monohydrate
5995-86-8

3,4,5-trihydroxybenzoic acid monohydrate

nickel(II) 3,4,5-trihydroxybenzoate dihydrate

nickel(II) 3,4,5-trihydroxybenzoate dihydrate

Conditions
ConditionsYield
In potassium hydroxide aq. KOH; other Radiation; Ni salt and C6H2(OH)3CO2H*H2O dissolved in aq. KOH, stirred in a microwave reactor for 10 min, heated at 150°C for 4 h; filtered, washed (H2O), dried for 1 h at 60°C;
nickel(II) chloride tetrahydrate

nickel(II) chloride tetrahydrate

water-d2
7789-20-0

water-d2

3,4,5-trihydroxybenzoic acid monohydrate
5995-86-8

3,4,5-trihydroxybenzoic acid monohydrate

Ni(2+)*C6(2)H2O(O(2)H)2CO2(2-)*2(2)H2O=NiC6(2)H2O(O(2)H)2CO2*2(2)H2O

Ni(2+)*C6(2)H2O(O(2)H)2CO2(2-)*2(2)H2O=NiC6(2)H2O(O(2)H)2CO2*2(2)H2O

Conditions
ConditionsYield
With KOH In water-d2 other Radiation; Ni salt and C6H2(OH)3CO2H*H2O dissolved in a D2O soln. of KOH, stirred in a microwave reactor for 10 min, heated at 150°C for 4 h; placedin a vial inside an autoclavable jar contg. D2O and heated at 80.degree .C for 2 d;
...Expand
cobalt(II) chloride tetrahydrate

cobalt(II) chloride tetrahydrate

3,4,5-trihydroxybenzoic acid monohydrate
5995-86-8

3,4,5-trihydroxybenzoic acid monohydrate

cobalt(II) 3,4,5-trihydroxybenzoate dihydrate

cobalt(II) 3,4,5-trihydroxybenzoate dihydrate

Conditions
ConditionsYield
In potassium hydroxide aq. KOH; other Radiation; Co salt and C6H2(OH)3CO2H*H2O dissolved in aq. KOH, stirred in a microwave reactor for 10 min, heated at 125°C; filtered, washed (H2O), dried for 1 h at 60°C;
3,4,5-trihydroxybenzoic acid monohydrate
5995-86-8

3,4,5-trihydroxybenzoic acid monohydrate

tinidazole
19387-91-8

tinidazole

C8H13N3O4S*C7H6O5

C8H13N3O4S*C7H6O5

Conditions
ConditionsYield
In water at 60℃; for 1h;

Gallic acid monohydrate Specification

This chemical is called Gallic acid monohydrate, and its systematic name is 3,4,5-trihydroxybenzoic acid hydrate. With the molecular formula of C7H8O6, its molecular weight is 188.14. The CAS registry number of this chemical is 5995-86-8. Additionally, its product categories are Pharmaceutical Intermediates; Antioxidant; Biochemistry. It should be kept cool and dry.

Other characteristics of the Gallic acid monohydrate can be summarised as followings: (1)# of Rule of 5 Violations: 1 ; (2)#H bond acceptors: 6; (3)#H bond donors: 6; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 97.99 Å2; (6)Flash Point: 314.6 °C; (7)Enthalpy of Vaporization: 93.47 kJ/mol; (8)Boiling Point: 596.6 °C at 760 mmHg; (9)Vapour Pressure: 4.43E-15 mmHg at 25°C.

Production method of this chemical: The Gallic acid monohydrate could be obtained by the raw materials of tannic acid when hydrolysis happen in the presence of sulfuric acid.

Uses of this chemical: This chemical is used for the determination of cerium, titanium, phosphate and nitrite with the spectrophotometry. It's also used in the manufacture of thiazine dyes, oxazine dyes, drugs, etc.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. Avoid contacting with skin and eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O.Oc1cc(cc(O)c1O)C(O)=O
2.InChI: InChI=1/C7H6O5.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H2
3.InChIKey: IUTKPPDDLYYMBE-UHFFFAOYAM

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