Cyclohexanebutanoic acid, sodium salt

Base Information

• Chemical Name: Cyclohexanebutanoic acid, sodium salt
• CAS No.: 61886-29-1
• Molecular Formula: C10H18 O2 . Na
• Molecular Weight: 192.234
• Hs Code.: 2916209090
• European Community (EC) Number: 263-286-8
• UNII: BZ9ZCJ9H7A
• DSSTox Substance ID: DTXSID8069515
• Nikkaji Number: J306.928A
• Mol file: 61886-29-1.mol

Synonyms:Sodium cyclohexanebutyrate;61886-29-1;Cyclohexanebutanoic acid, sodium salt;Sodium 4-cyclohexylbutyrate;sodium;4-cyclohexylbutanoate;BZ9ZCJ9H7A;Cyclohexanebutanoic acid, sodium salt (1:1);EINECS 263-286-8;sodium 4-cyclohexylbutanoate;UNII-BZ9ZCJ9H7A;C10H18O2.Na;SCHEMBL3421970;DTXSID8069515;C10-H18-O2.Na;4-Cyclohexylbutyric acid sodium salt;MFCD00036395;FT-0694923;Sodium cyclohexanebutyrate, AAS, Certified Na Content

Chemical Property of Cyclohexanebutanoic acid, sodium salt

Chemical Property:

• Melting Point: 264 °C (dec.)(lit.)
• PSA: 40.13000
• LogP: 1.48690
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.11262406
• Heavy Atom Count: 13
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

Sodium cyclohexanebutyrate ^*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: C1CCC(CC1)CCCC(=O)[O-].[Na+]
• Uses: Sodium standard salt for organic systems. Lot specific assay on label.

Technology Process of Cyclohexanebutanoic acid, sodium salt

There total 1 articles about Cyclohexanebutanoic acid, sodium salt 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:

4-cyclohexylbutanoic acid (4441-63-8) → sodium cyclohexyl butanoate (61886-29-1)

Guidance literature:

With sodium hydroxide; In ethanol; for 8h; Reflux;

DOI:10.1021/la301222m

Reference yield: 96.0%

C21H35Cl2MnN5 + sodium cyclohexyl butanoate (61886-29-1) → manganese(ll) bis-cyclohexaneburato[(4aS,13aS,17aS,21aS)-1,2,3,4,4a,5,6,12,13,13a,14,15,16,17,17a,18,19,20,21,21a-eicosahydro-11,7-nitrilo-7H-dibenzo[b,h][1,4,7,10]tetraazacycloheptadecine-kN5,κΝ13,κΝ18,κΝ21,κΝ22]

Guidance literature:

sodium cyclohexyl butanoate; In methanol; at 0.4 ℃; for 0.25h; Sonication;

C₂₁H₃₅Cl₂MnN₅; In methanol; ethanol; for 1.25h; Cooling;

Reference yield: 96.0%

GC4419 + sodium cyclohexyl butanoate (61886-29-1) → manganese(ll) bis-cyclohexanebutyrato-[(4aS,13aS,17aS,21aS)-1,2,3,4,4a,5,6,12,13,13a,14,15,16,17,17a,18,19,20,21,21a-eicosahydro-11,7-nitrilo-7H-dibenzo[b,h][1,4,7,10]tetraazacycloheptadecine-κN5,κΝ13,κΝ18,κΝ21,κΝ22]-

Guidance literature:

In methanol; ethanol; for 0.25h;

upstream raw materials:

4-cyclohexylbutanoic acid