Aspirin calcium

Base Information

• Chemical Name: Aspirin calcium
• CAS No.: 69-46-5
• Molecular Formula: C18H14CaO8
• Molecular Weight: 398.382
• European Community (EC) Number: 200-707-6
• UNII: WOD7W0DGZS
• DSSTox Substance ID: DTXSID80219037
• Nikkaji Number: J4.867D
• Wikidata: Q27292751
• NCI Thesaurus Code: C83539
• Mol file: 69-46-5.mol

Synonyms:2-(Acetyloxy)benzoic Acid;Acetylsalicylic Acid;Acetysal;Acid, Acetylsalicylic;Acylpyrin;Aloxiprimum;Aspirin;Colfarit;Dispril;Easprin;Ecotrin;Endosprin;Magnecyl;Micristin;Polopirin;Polopiryna;Solprin;Solupsan;Zorprin

Chemical Property of Aspirin calcium

Chemical Property:

• Vapor Pressure: 0.000124mmHg at 25°C
• Boiling Point: 321.4ºCat 760 mmHg
• Flash Point: 131.2ºC
• PSA: 105.20000
• LogP: 2.46600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 398.0314583
• Heavy Atom Count: 27
• Complexity: 206

Purity/Quality:

99%, ^*data from raw suppliers

Calciumacetylsalicylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].[Ca+2]
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Technology Process of Aspirin calcium

There total 5 articles about Aspirin calcium 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:

aspirin (50-78-2,98201-60-6) → calcium O-acetylsalicylate (69-46-5)

Guidance literature:

With ammonium perchlorate; calcium(II) ion; for 35h; Equilibrium constant; ΔS, ΔH, ΔG, pH=4.8, μ=0.5, other temp.;

Reference yield:

→ calcium O-acetylsalicylate (69-46-5)

Guidance literature:

With methanol; calcium(II) nitrate; water;

Reference yield:

calcium acetate (62-54-4) + aspirin (50-78-2,98201-60-6) → calcium O-acetylsalicylate (69-46-5)

Guidance literature:

With methanol; water;

upstream raw materials:

calcium acetate

aspirin

Downstream raw materials:

bis(2-acetoxybenzoic acid) calcium urea

aspirin

Refernces

• 1、 Gupta,Raina. "Interaction of alkaline earth metals with aspirin". . p. 271 - 273. Retrieved 2007/10/02.