CID 10129997

Base Information

• Chemical Name: CID 10129997
• CAS No.: 10051-44-2
• Molecular Formula: C6H12 O2 . Na
• Molecular Weight: 138.142
• Hs Code.: 2915900090
• Mol file: 10051-44-2.mol

Synonyms:SCHEMBL121963

Chemical Property of CID 10129997

Chemical Property:

• Vapor Pressure: 0.158mmHg at 25°C
• Melting Point: 350 °C
• Boiling Point: 204.6°Cat760mmHg
• Flash Point: 90.3°C
• PSA: 40.13000
• Density: g/cm³
• LogP: 0.31660
• Storage Temp.: 2-8°C
• Water Solubility.: almost transparency in Water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 139.07349890
• Heavy Atom Count: 9
• Complexity: 68.9

Purity/Quality:

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

Sodium Hexanoate >99.0%(T) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)O.[Na]
• Uses: Sodium Hexanoate is a reagent used in the synthesis of biodegradable biopolymers with improved service properties.

Technology Process of CID 10129997

There total 8 articles about CID 10129997 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: 98.0%

sodium hydroxide (1310-73-2) + hexan-1-ol (111-27-3) → sodium caproate (10051-44-2)

Guidance literature:

With C₂₉H₄₄Cl₂N₂Ru; In water; for 18h; Reflux;

DOI:10.1039/c5dt01358e

Reference yield: 94.0%

→ sodium caproate (10051-44-2)

Guidance literature:

Reference yield: 86.0%

sodium 1-pentanecarboselenoate (129990-65-4) → sodium caproate (10051-44-2)

Guidance literature:

With oxygen; at 20 ℃; for 1h;

upstream raw materials:

p-nitrophenyl hexanoate

sodium 1-pentanecarboselenoate

Hexanoyl chloride

hexanoic acid

Downstream raw materials:

Hexanoyl chloride

3-octanone

hexanoic acid-(4-phenylazo-phenacyl ester)

n-butylmalonic acid

Refernces

• 1、 Jaeger, David A.,Clennan, Malgorzata Wegrzyn. "Selectivity in the Base-Catalyzed Hydrolysis of p-Nitrophenyl Esters within a Reversed-Phase Liquid Chromatography Column". . p. 3985 - 3988. Retrieved 1988.
• 2、 Zacharie, Boulos,Ezzitouni, Abdallah,Duceppe, Jean-Simon,Penney, Christopher. "A simple and efficient large-scale synthesis of metal salts of medium-chain fatty acids". experimental part. p. 581 - 583. Retrieved 2010/04/22.