MELLITIC ACID

Base Information

• Chemical Name: MELLITIC ACID
• CAS No.: 517-60-2
• Molecular Formula: C12H6O12
• Molecular Weight: 342.172
• Hs Code.: 29173990
• European Community (EC) Number: 208-243-6
• NSC Number: 229358
• UNII: P80QSP14DM
• DSSTox Substance ID: DTXSID50199650
• Nikkaji Number: J6.578A
• Wikipedia: Mellitic_acid
• Wikidata: Q734078
• Metabolomics Workbench ID: 56404
• ChEMBL ID: CHEMBL1231329
• Mol file: 517-60-2.mol

Synonyms:Benzenehexacarboxylicacid (8CI,9CI);Mellitic acid (6CI);Hexacarboxybenzene;Mellic acid;NSC229358;

Chemical Property of MELLITIC ACID

Chemical Property:

• Vapor Pressure: 3.92E-19mmHg at 25°C
• Melting Point: 287 °C
• Refractive Index: 1.761
• Boiling Point: 674.845 °C at 760 mmHg
• PKA: pK1: 0.68;pK2: 2.21;pK3: 3.52;pK4: 5.09;pK5: 6.32; pK6: 7.49 (25°C)
• Flash Point: 375.911 °C
• PSA: 223.80000
• Density: 2.078 g/cm³
• LogP: -0.12420
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Completely soluble in water
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 341.98592562
• Heavy Atom Count: 24
• Complexity: 470

Purity/Quality:

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

Mellitic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C1(=C(C(=C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
• Uses: Mellitic acid is part of a group of benzenepolycarboxylic acids that have potential anti-hemorrhagic properties. Mellitic acid is also used as a motif to investigate possible radial self-assembly using complementary aromatic bases.

Technology Process of MELLITIC ACID

There total 40 articles about MELLITIC 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: 54.0%

1,2,3,4,5,6-cyclohexanehexacarboxylic acid (2216-84-4) → benzenehexacarboxylic acid (517-60-2)

Guidance literature:

1,2,3,4,5,6-cyclohexanehexacarboxylic acid; With phosphorus pentachloride; In neat (no solvent); at 130 ℃; for 1h;

With water; In neat (no solvent); at 130 ℃; for 4h;

DOI:10.1021/jo5005185

Reference yield: 49.0%

Hexamethylbenzene (87-85-4) → benzenehexacarboxylic acid (517-60-2)

Guidance literature:

With cerium(III) chloride; 1,1,1-trichloroethanol; oxygen; In acetonitrile; at 60 ℃; Irradiation;

DOI:10.1007/s11426-021-1032-7

Reference yield:

→ benzenehexacarboxylic acid (517-60-2)

Guidance literature:

With nitric acid; vanadia;

upstream raw materials:

maleic anhydride

Tetrakis-hydroxymethyl-furan

triphenylene

Hexamethylbenzene

Downstream raw materials:

hexamethyl benzenehexacarboxylate

carbon dioxide

Pyromellitic dianhydride

isophthalic acid

Refernces

• 1、 Chaigneau. "-". . . Retrieved 1957.
• 2、 Juettner. "-". . p. 1472,1474. Retrieved 1937.
• 3、 Wang, Chang-Cheng,Zhang, Guo-Xiang,Zuo, Zhi-Wei,Zeng, Rong,Zhai, Dan-Dan,Liu, Feng,Shi, Zhang-Jie. "Photo-induced deep aerobic oxidation of alkyl aromatics". . p. 1487 - 1492. Retrieved 2021/07/10.
• 4、 Rudakov, E. S.,Rudakova, R. I.,Zubova, T. I.,Savos'kin, M. V.. "TWO-STEP OXIDATION OF ANTHRACITE TO MELLITIC ACID". . p. 154 - 157. Retrieved 2007/10/02.