- Gallic acid
- Gallic acid monohydrate
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| Name |
Gallic acid monohydrate |
EINECS | 205-749-9 |
| CAS No. | 5995-86-8 | Density | 1.694 g/cm3 |
| PSA | 107.22000 | LogP | 0.43730 |
| 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 | N/A | Appearance | off-white to beige powder |
| Safety | 26-36-24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Benzoicacid, 3,4,5-trihydroxy-, monohydrate (9CI);Gallic acid, monohydrate (8CI);Callic acid; |
Gallic acid monohydrate Synthetic route
| Conditions | Yield |
|---|---|
| In methanol; water for 1h; Reflux; | 67% |
- 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate
- 77-78-1
dimethyl sulfate
- 1916-07-0
3,4,5-trimethoxybenzoic acid methyl ester
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide for 7h; Ambient temperature; | 32.7 g |
- 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate
| 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; |
| 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; |
- 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate
| 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; |
| 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; |
- 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate
| 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; |
| Conditions | Yield |
|---|---|
| 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.
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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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