2,4,6-Trihydroxybenzoic acid

Base Information

• Chemical Name: 2,4,6-Trihydroxybenzoic acid
• CAS No.: 83-30-7
• Molecular Formula: C7H6O5
• Molecular Weight: 170.122
• Hs Code.: 2918290000
• European Community (EC) Number: 201-467-5
• NSC Number: 36720
• UNII: 3NC0UQ5EMR
• DSSTox Substance ID: DTXSID1058890
• Nikkaji Number: J3.871G
• Wikipedia: Phloroglucinol_carboxylic_acid
• Wikidata: Q374897
• Metabolomics Workbench ID: 43959
• ChEMBL ID: CHEMBL3747578
• Mol file: 83-30-7.mol

Synonyms:2,4,6-trihydroxybenzoic acid;sodium 2,4,6-trihydroxybenzoate

Chemical Property of 2,4,6-Trihydroxybenzoic acid

Chemical Property:

• Appearance/Colour: Light beige crystalline powder.
• Vapor Pressure: 4.93E-08mmHg at 25°C
• Melting Point: ~210 °C (dec.)
• Refractive Index: 1.73
• Boiling Point: 426.5 °C at 760 mmHg
• PKA: 1.68(at 25℃)
• Flash Point: 225.9 °C
• PSA: 97.99000
• Density: 1.749 g/cm³
• LogP: 0.50160
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 170.02152329
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,6-Trihydroxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)C(=O)O)O)O
• Uses: 2,4,6-Trihydroxybenzoic Acid is a metabolite of Naringin (N378980), a major flavonoid found in grapefruit juice and was shown to exhibit properties as an antioxidant, lipid lowering and anticancer act ivities. 2,4,6-Trihydroxybenzoic Acid is a metabolite of Naringin (N378980), a major flavonoid found in grapefruit juice and was shown to exhibit properties as an antioxidant, lipid lowering and anticancer activities.

Technology Process of 2,4,6-Trihydroxybenzoic acid

There total 26 articles about 2,4,6-Trihydroxybenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 52.0%

2,4,6-trihydroxybenzaldehyde (487-70-7) → acide 2,4,6-trihydroxybenzoique (83-30-7)

Guidance literature:

With potassium bromate; hydrogenchloride; potassium bromide; In water; for 12h; Time;

DOI:10.1007/s11164-012-0836-y

Reference yield: 27.0%

galangin (548-83-4) → acide 2,4,6-trihydroxybenzoique (83-30-7)

Guidance literature:

With potassium superoxide; tetraethylammonium bromide; In N,N-dimethyl-formamide; at 20 ℃; for 16.5h;

Reference yield: 27.0%

quercetin-3-O-β-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside (36535-79-2) → acide 2,4,6-trihydroxybenzoique (83-30-7)

Guidance literature:

at 30 ℃; for 48h; microbial conversion, by Corynebacterium sp.;

upstream raw materials:

methyl iodide

quercetin-3-O-β-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside

quercetol

3,5-dihydroxyphenol

Downstream raw materials:

carbon dioxide

3,5-diethoxyphenol

3,5-dihydroxyphenol

2,4-dibromo-1,3,5-trihydroxybenzene

Refernces

• 1、 Ilunga, Ali K.,Meijboom, Reinout. "Synthesis of narrowly dispersed silver and gold nanoparticles and their catalytic evaluation for morin oxidation". . p. 17 - 29. Retrieved 2016.
• 2、 Kaizer, József,Keszei, Soma,Lakk-Bogáth, Dóra,Meena, Bashdar I.. "Bleach catalysis in aqueous medium by iron(III)-isoindoline complexes and hydrogen peroxide". . p. 351 - 360. Retrieved 2021/11/09.