3,4,5-Trihydroxybenzoic acid hydrate (1:1)

Basic Information

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CAS Number

5995-86-8

Molecular Formula

C7H8O6

Molecular Weight

188.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

253°C(dec.)

Boiling Point

596.6°C at 760 mmHg

Water Solubility

15 g/l (20 ºC)

Solubility

It is soluble in alcohol, ether, glycerol, acetone negligible in benzene, chloroform, petroleum ether.

SMILES

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C1=C(C=C(C(=C1O)O)O)C(=O)O.O

InChI

InChI=1S/C7H6O5.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H2

InChIKey

IUTKPPDDLYYMBE-UHFFFAOYSA-N

LogP

-0.32310000000000016

Topological Polar Surface Area

129.49 Å²

Hydrogen Bond Donor/Acceptor

6 / 6

Complexity

169

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Hygroscopic

Synonyms & References

English

Gallicum acidum
Q27259102
HY-N0523A
Q-201147
AT30909
AKOS015888592
Gallic acid monohydrate
CHEMBL3634562
3,4,5-trihydroxybenzoic acid hydrate
AS-14767
3,4,5-Trihydroxybenzoic acid hydrate (1:1)
5995-86-8
BCP15870
3,4,5-Trihydroxybenzoic acid monohydrate ACS grade
Gallic acid (hydrate)
Acidum Gallicum
CS-0016781
Gallic acid, monohydrate
UNII-48339473OT
3,4,5-Trihydroxybenzoic acid monohydrate
A832552
Benzoic acid, 3,4,5-trihydroxy-, hydrate
IUTKPPDDLYYMBE-UHFFFAOYSA-N
Benzoic acid, 3,4,5-trihydroxy-, monohydrate
FT-0655615
MFCD00149098
Gallicacidmonohydrate
Gallic Acid Monohydrate,(S)
SCHEMBL1334688
3,4,5-Trihydroxybenzoicacidhydrate
GALLIC ACID MONOHYDRATE [MI]

MDL Number

MFCD00149098

Customs Code

2918290000

FAQ

What is 3,4,5-Trihydroxybenzoic acid hydrate (CAS: 5995-86-8)?

3,4,5-Trihydroxybenzoic acid hydrate is a white crystalline compound with the chemical formula C7H6O5·H2O. It is a hydrate of 3,4,5-trihydroxybenzoic acid and is commonly used as a food additive and in pharmaceutical applications due to its antioxidant and preservative properties.

What are the main uses of 3,4,5-Trihydroxybenzoic acid hydrate (CAS: 5995-86-8)?

3,4,5-Trihydroxybenzoic acid hydrate is primarily used as a food preservative and antioxidant, extending the shelf life of various food products. It is also employed in pharmaceutical formulations as a stabilizer and antioxidant. Additionally, it is used in cosmetics and personal care products for its preservative properties.

Is 3,4,5-Trihydroxybenzoic acid hydrate (CAS: 5995-86-8) safe?

3,4,5-Trihydroxybenzoic acid hydrate is generally considered safe for use in food and pharmaceuticals. It is approved by regulatory bodies such as the FDA and ECHA for use as a food additive and preservative. However, proper handling should be followed, including wearing appropriate personal protective equipment and avoiding contact with skin and eyes. Storage in a cool, dry place away from direct sunlight is recommended to maintain its stability and safety.

How should 3,4,5-Trihydroxybenzoic acid hydrate (CAS: 5995-86-8) be stored?

3,4,5-Trihydroxybenzoic acid hydrate should be stored in a cool, dry place to prevent degradation. It should be kept away from direct sunlight and heat sources. The container should be tightly sealed to maintain its stability and prevent moisture absorption. Storage at temperatures below 25°C is recommended to ensure long-term stability.