3,4,5-Trihydroxybenzoic acid

Basic Information

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CAS Number

149-91-7

Molecular Formula

C7H6O5

Molecular Weight

170.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Powder

Melting Point

251 °C (dec.)

Boiling Point

501.1°C at 760 mmHg

Water Solubility

12 g/L cold water

Flash Point

271 °C

Solubility

Sparingly soluble (NTP, 1992)

Refractive Index

1.5690 (estimate)

SMILES

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OC(=O)c1cc(O)c(O)c(O)c1

InChI

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

InChIKey

LNTHITQWFMADLM-UHFFFAOYSA-N

LogP

0.5015999999999998

pKa

4.41(at 25℃)

Topological Polar Surface Area

97.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

169

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Stability

Stability Stable, but may discolour upon exposure to light. Hygroscopic. Incompatible with strong oxidizing agents, strong bases, acid chlorides, acid anhydrides.

Sensitiveness

Sensitive to light and humidity

Toxicity

LD50 in rabbits (g/kg): 5.0 orally (Dollahite)

Synonyms & References

English

Gallic acid
3,4,5-TRIHYDROXYBENZOIC ACID
3,4,5-TRIOXYBENZOIC ACID
AKOS 214-65
BETZ 0276
GALLIC ACID-1-HYDRATE
RARECHEM AL BE 0070
TIMTEC-BB SBB008781
3,4,5-trihydroxy-benzoicaci
gallic
Gallussaure
Kyselina 3,4,5-trihydroxybenzoova
Kyselina gallova
3,4,5-Trihydroxybezoic acid
Gallic acid (Monohydrate or Anhydrous)
Benzoic acid, 3,4,5-trihydroxy-
3,4,5-trihydroxybenzoic acid, anhydrous
GALLIC ACID- CHINESE
2-Deoxy-2-thioarachidonoylphosphatidylcholine
Gallic acid (Monohydrate or Anhydrous) (3,4,5-Trihydroxybenzoic acid )
Gallic acid monohydrate
GALLIC ACID(AS)
GALLIC ACID(P)
GALLIC ACID(P) PrintBack
GALLIC ACID, NATURAL STANDARD
Gallic acid
3,4,5-trihydroxybenzenoic Acid
Galloyl alcohol
graphite oxide
graphitic acid
Pyrogallol-5-carboxylic acid

MDL Number

MFCD00002510

Customs Code

2918290000

FAQ

What is 3,4,5-Trihydroxybenzoic acid (CAS: 149-91-7)?

3,4,5-Trihydroxybenzoic acid (CAS: 149-91-7) is a phenolic compound with the chemical formula C7H6O4. It features three hydroxyl groups attached to a benzene ring and a carboxylic acid group, giving it strong antioxidant properties. Commonly found in plants, it is used as a precursor in organic synthesis and has applications in pharmaceuticals and research. Its structure makes it a key component in bioactive molecules and natural products.

What are the main uses of 3,4,5-Trihydroxybenzoic acid (CAS: 149-91-7)?

3,4,5-Trihydroxybenzoic acid (CAS: 149-91-7) is widely used in pharmaceuticals as an antioxidant and anti-inflammatory agent. In industry, it serves as a raw material for dyes, polymers, and pesticides. It acts as a food additive to preserve freshness and enhance flavor. Research applications include studying its role in plant metabolism and developing new drug candidates. Its versatility makes it valuable across multiple sectors.

Is 3,4,5-Trihydroxybenzoic acid (CAS: 149-91-7) safe?

3,4,5-Trihydroxybenzoic acid (CAS: 149-91-7) is generally considered safe in regulated amounts, but proper handling is essential. It may cause skin or eye irritation upon contact, so protective gloves and goggles are recommended. Inhalation of dust should be avoided, and disposal must follow local hazardous waste guidelines. Safety data sheets (SDS) should be consulted for specific precautions and exposure limits.

How should 3,4,5-Trihydroxybenzoic acid (CAS: 149-91-7) be stored?

3,4,5-Trihydroxybenzoic acid (CAS: 149-91-7) should be stored in a cool, dry place (15-25°C), away from light and moisture. Keep in airtight, dark-colored containers to prevent degradation. Avoid exposure to air and humidity to maintain stability. Store in a well-ventilated area, and ensure it is protected from heat and direct sunlight to preserve its chemical integrity.