Undecasodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate

Base Information

• Chemical Name: Undecasodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate
• CAS No.: 6858-44-2
• Molecular Formula: C6H7Na3O8
• Molecular Weight: 348.147
• Hs Code.: 2918 15 00
• Mol file: 6858-44-2.mol

Synonyms:Undecasodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate;undecasodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate;2-Hydroxy-1,2,3-propanetricarboxylic acid, trisodium salt, pentahydrate

Chemical Property of Undecasodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate

Chemical Property:

• Melting Point: 300 °C
• Boiling Point: 309.6oC at 760 mmHg
• Flash Point: 155.2oC
• PSA: 149.85000
• Density: 1.857
• LogP: -5.31690
• Storage Temp.: Store at +5°C to +30°C.
• Water Solubility.: g/100mL H2O: 92.6 (25°C), 250 (100°C); slightly soluble alcohol, insoluble ether [KIR78]
• Hydrogen Bond Donor Count: 13
• Hydrogen Bond Acceptor Count: 79
• Rotatable Bond Count: 22
• Exact Mass: 2367.9473939
• Heavy Atom Count: 156
• Complexity: 211

Purity/Quality:

99.5%min ^*data from raw suppliers

Sodium citrate tribasic hydrate ReagentPlus , ≥99% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Technology Process of Undecasodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate

There total 3 articles about Undecasodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate 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:

citric acid (77-92-9,906507-37-7) → citric acid ; disodium citrate sesquihydrate (6132-04-3,6132-05-4,6508-89-0,6858-44-2,16543-95-6,18307-19-2,19287-96-8,36833-40-6,51105-16-9,55306-23-5,60411-18-9,63938-18-1,63938-19-2,63938-20-5,66906-07-8,66907-42-4,114456-61-0)

Guidance literature:

DOI:10.1021/ja01207a507

Reference yield:

sodium cation (17341-25-2) + citric acid (77-92-9,906507-37-7) → citric acid ; trisodium-salt pentahydrate (6858-44-2)

Guidance literature:

In water; dissoln. of citric acid in H2O; addn. of Na salt; adjusting to pH 5.7-6.20; evapn. at temp. <46°C, 6.6 Torr; crystn.;;

Reference yield:

sodium carbonate (497-19-8) + citric acid (77-92-9,906507-37-7) → citric acid ; trisodium-salt pentahydrate (6858-44-2)

Guidance literature:

upstream raw materials:

citric acid

sodium cation

sodium carbonate

Downstream raw materials:

water

trisodium citrate dihydrate

sodium carbonate

formic acid