3,4,5-Triacetoxybenzoic acid

Base Information

• Chemical Name: 3,4,5-Triacetoxybenzoic acid
• CAS No.: 6635-24-1
• Molecular Formula: C13H12 O8
• Molecular Weight: 296.233
• Hs Code.: 2918990090
• European Community (EC) Number: 886-165-7
• NSC Number: 49173,16959
• UNII: 2TPZ8W7SN9
• DSSTox Substance ID: DTXSID40216562
• Nikkaji Number: J308.082J
• Wikidata: Q83092793
• Metabolomics Workbench ID: 140156
• ChEMBL ID: CHEMBL505054
• Mol file: 6635-24-1.mol

Synonyms:6635-24-1;3,4,5-triacetoxybenzoic acid;3,4,5-tris(acetyloxy)benzoic acid;3,4,5-triacetyloxybenzoic acid;3,4,5-Triacetoxy-benzoic acid;Benzoic acid, 3,4,5-tris(acetyloxy)-;NSC-16959;NSC-49173;Benzoic acid,3,4,5-tris(acetyloxy)-;NSC 49173;Triacetylgallussaure;C13H12O8;NSC 16959;Gallic acid, triacetate;2TPZ8W7SN9;GALLIC ACID TRIACETATE;3,4,5-triacetylbenzoic acid;SCHEMBL716891;CHEMBL505054;DTXSID40216562;BJCGLAAQSUGMKB-UHFFFAOYSA-N;NSC16959;NSC49173;STR05114;MFCD00017226;AKOS000122530;CS-0218154;FT-0636214;EN300-00256;F20525;J-511102;Z104481222;InChI=1/C13H12O8/c1-6(14)19-10-4-9(13(17)18)5-11(20-7(2)15)12(10)21-8(3)16/h4-5H,1-3H3,(H,17,18

Chemical Property of 3,4,5-Triacetoxybenzoic acid

Chemical Property:

• Vapor Pressure: 1.43E-09mmHg at 25°C
• Refractive Index: 1.538
• Boiling Point: 468.3 °C at 760 mmHg
• Flash Point: 176.8 °C
• PSA: 116.20000
• Density: 1.378 g/cm³
• LogP: 1.16070
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 296.05321734
• Heavy Atom Count: 21
• Complexity: 418

Purity/Quality:

99% ^*data from raw suppliers

3,4,5-tris(Acetyloxy)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)O
• Uses: 3,4,5-tris(Acetyloxy)benzoic Acid is used in the preparation of Gallic Acid(G188978) which is a number of cellular effects including apoptosis and inhibits the growth of calf pulmonary arterial endothelial cell (CPAEC);Also, it is a polyphenol widely found in numerous fruits and vegetables that has been reported to exert anticancer effects, including apoptosis, against cancer cell lines.

Technology Process of 3,4,5-Triacetoxybenzoic acid

There total 4 articles about 3,4,5-Triacetoxybenzoic 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:

3,4,5-trihydroxybenzoic acid (149-91-7) → 3,4,5-triacetoxybenzoic acid (6635-24-1)

Guidance literature:

With pyridine; formic acid; acetic anhydride; In ethyl acetate;

Reference yield:

3,4,5-trihydroxybenzoic acid (149-91-7) + acetyl chloride (75-36-5) → 3,4,5-triacetoxybenzoic acid (6635-24-1)

Guidance literature:

Reference yield:

3,4,5-trihydroxybenzoic acid (149-91-7) + acetic anhydride (108-24-7) → 3,4,5-triacetoxybenzoic acid (6635-24-1) + 3,4,5-triacetoxybenzoic anhydride

Guidance literature:

With zinc(II) chloride;

upstream raw materials:

3,4,5-trihydroxybenzoic acid

acetic anhydride

acetyl chloride

Downstream raw materials:

Eudesmic acid

3,4,5-triacetoxybenzoyl chloride

3,5-diacetoxy-4-hydroxy-benzoic acid

10-(3,4,5-triacetoxy-benzoyl)-10H-phenothiazine