5995-86-8

Basic information

• Product Name: Gallic acid monohydrate
• Synonyms: GALLIC ACID-1-HYDRATE;GALLIC ACID MONOHYDRATE;GALLIC ACID, HYDRATE;BETZ 0276;3,4,5-TRIOXYBENZOIC ACID;3,4,5-TRIHYDROXYBENZOIC ACID MONOHYDRATE;AKOS 214-65;GALLIC ACID MONOHYDRATE 98+% &
• CAS NO: 5995-86-8
• Molecular Formula: C₇H₆O₅*H₂O
• Molecular Weight: 188.13
• EINECS: 205-749-9
• Product Categories: Pharmaceutical Intermediates;Antioxidant;Biochemistry;ACS Grade;Building Blocks;C7;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Essential Chemicals;Inorganic Salts;Organic Building Blocks;Research Essentials;Solutions and Reagents;Myrica cerifera;Acacia;Aspalathus linearis (Rooibos tea);Cimicifuga racemosa;Ephedra sinica;Euphorbia sp;Hypericum perforatum (St John′Nutrition Research;Phytochemicals by Plant (Food/Spice/Herb);s wort);Vaccinium myrtillus (Bilberry)
• Mol File: 5995-86-8.mol
• Article Data: 0

Chemical Properties

• Melting Point: 252 °C (dec.)(lit.)
• Boiling Point: 596.6 °C at 760 mmHg
• Flash Point: 250 °C
• Appearance: White to cream/Solid
• Density: 1.694
• Vapor Pressure: 4.43E-15mmHg at 25°C
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: It is soluble in alcohol, ether, glycerol, acetone negligible in
• Water Solubility: 15 g/l (20 ºC)
• Sensitive: Hygroscopic
• Stability: Light Sensitive
• Merck: 14,4345
• BRN: 2050274
• CAS DataBase Reference: Gallic acid monohydrate(CAS DataBase Reference)
• NIST Chemistry Reference: Gallic acid monohydrate(5995-86-8)
• EPA Substance Registry System: Gallic acid monohydrate(5995-86-8)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25
• WGK Germany: 2
• RTECS: LW7525000
• F: 8-9-23
• TSCA: Yes
• Hazardous Substances Data: 5995-86-8(Hazardous Substances Data)

Usage

Chemical Properties

Off-white to beige powder

Uses

Different sources of media describe the Uses of 5995-86-8 differently. You can refer to the following data:
1. Gallic Acid is a phenolic acid with antioxidant activity. Gallic acid was found to protect human cells against oxidative damage and showed cytotoxicity against cancer cells. Gallic Acid and its esters also show antiviral and antifungal activities.
2. anti-hyperlipoproteinemic, selective, reversible, competitive inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase
3. Gallic acid monohydrate may be used as a standard in the photometric determination of total phenolics content by Folin-Ciocalteu method.

General Description

Gallic acid monohydrate is a phenolic acid. A study of its crystalline structure reveals that it is planar with two intramolecular hydrogen bonds and five intermolecular hydrogen bonds. Gallic acid is of significant importance because of its antioxidant and anti-cancer activities. Infrared and Raman spectral studies of gallic acid have been reported.

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

Synthetic route

pyridine-4-carbonitrile (100-48-1) + 3,4,5-trihydroxybenzoic acid monohydrate (5995-86-8) → C7H6O5*C6H4N2

Conditions	Yield
In methanol; water for 1h; Reflux;	67%

3,4,5-trihydroxybenzoic acid monohydrate (5995-86-8) + dimethyl sulfate (77-78-1) → 3,4,5-trimethoxybenzoic acid methyl ester (1916-07-0)

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 7h; Ambient temperature;	32.7 g

iron(II) chloride tetrahydrate + 3,4,5-trihydroxybenzoic acid monohydrate (5995-86-8) → iron(III) 3,4,5-trihydroxybenzoate dihydrate

Conditions	Yield
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 + water-d2 (7789-20-0) + 3,4,5-trihydroxybenzoic acid monohydrate (5995-86-8) → Fe(3+)*C6(2)H2O2(O(2)H)CO2(3-)*2(2)H2O=FeC6(2)H2O2(O(2)H)CO2*2(2)H2O

Conditions	Yield
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;

nickel(II) chloride tetrahydrate + 3,4,5-trihydroxybenzoic acid monohydrate (5995-86-8) → nickel(II) 3,4,5-trihydroxybenzoate dihydrate

Conditions	Yield
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 + water-d2 (7789-20-0) + 3,4,5-trihydroxybenzoic acid monohydrate (5995-86-8) → Ni(2+)*C6(2)H2O(O(2)H)2CO2(2-)*2(2)H2O=NiC6(2)H2O(O(2)H)2CO2*2(2)H2O

Conditions	Yield
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;

cobalt(II) chloride tetrahydrate + 3,4,5-trihydroxybenzoic acid monohydrate (5995-86-8) → cobalt(II) 3,4,5-trihydroxybenzoate dihydrate

Conditions	Yield
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) + tinidazole (19387-91-8) → C8H13N3O4S*C7H6O5

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

Downstream Products

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