Zinc diheptanoate

Base Information

• Chemical Name: Zinc diheptanoate
• CAS No.: 5261-20-1
• Molecular Formula: C14H26O4Zn
• Molecular Weight: 323.748
• European Community (EC) Number: 226-069-9
• DSSTox Substance ID: DTXSID10967039
• Nikkaji Number: J110.082C
• Mol file: 5261-20-1.mol

Synonyms:Zinc diheptanoate;5261-20-1;EINECS 226-069-9;C7H14O2.1/2Zn;C7-H14-O2.1/2Zn;zinc;heptanoate;ZINCHEPTOATE;Enanthic acid zinc salt;SCHEMBL1193090;DTXSID10967039;FT-0713676

Chemical Property of Zinc diheptanoate

Chemical Property:

• Vapor Pressure: 0.0578mmHg at 25°C
• Melting Point: 142.9 °C
• Boiling Point: 222.6 °C at 760 mmHg
• Flash Point: 99.2 °C
• PSA: 80.26000
• Density: 1.24 g/cm3
• LogP: 1.41090
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 322.112251
• Heavy Atom Count: 19
• Complexity: 73.5

Purity/Quality:

98%Min ^*data from raw suppliers

ZINC HEPTOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)[O-].CCCCCCC(=O)[O-].[Zn+2]

Technology Process of Zinc diheptanoate

There total 3 articles about Zinc diheptanoate 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: 85.0%

oenanthic acid (111-14-8) + zinc(II) oxide → zinc(II) heptanoate (5261-20-1)

Guidance literature:

In ethanol; prepn. by refluxing ZnO with excess of carboxylic acid in EtOH for about2 h; cooled; ppt. filtered off; washed (EtOH) repeatedly; collected; kept over silica gel in vac. desiccator; elem. anal.;

DOI:10.1016/j.saa.2006.11.007

Reference yield:

bis(dimethylcarbamodithioato-κS,κS')zinc(II) (137-30-4) + Heptanoatetetrabutyl-ammonium; (34283-62-0) → {N(CH2CH2CH2CH3)4}(1+)*{Zn(S2CN(CH3)2)3}(1-) = {N(CH2CH2CH2CH3)4}{Zn(S2CN(CH3)2)3} + zinc(II) heptanoate (5261-20-1)

Guidance literature:

In acetone; reflux 2 h;

DOI:10.1039/DT9800001939

Reference yield:

bis(dimethylcarbamodithioato-κS,κS')zinc(II) (137-30-4) + N(CH3)4(1+)*OCOC6H13(1-)=[N(CH3)4][OCOC6H13] (26185-72-8) → N(CH3)4(1+)*Zn(S2CN(CH3)2)3(1-)=[N(CH3)4][Zn(S2CN(CH3)2)3] (75642-17-0) + zinc(II) heptanoate (5261-20-1)

Guidance literature:

In acetone; reflux 2 h;

DOI:10.1039/DT9800001939

upstream raw materials:

bis(dimethylcarbamodithioato-κS,κS')zinc(II)

Heptanoatetetrabutyl-ammonium;

N(CH₃)4⁽¹⁺⁾*OCOC₆H₁₃^(1-)=[N(CH₃)4][OCOC₆H₁₃]

oenanthic acid

Refernces

• 1、 McCleverty, Jon A.,Spencer, Neil,Bailey, Neil A.,Shackleton, Stephen L.. "Aspects of the Inorganic Chemistry of Rubber Vulcanisation. Part 1. Reactions of Zinc Bis(dithiocarbamates) and Bis(benzothiazole-2-thiolates) with Carboxylates, and the Structure of 2(μ-OCOMe)>". . p. 1939 - 1944. Retrieved 2007/10/02.