Dihexyl Malonate

Base Information

• Chemical Name: Dihexyl Malonate
• CAS No.: 1431-37-4
• Molecular Formula: C15H28O4
• Molecular Weight: 272.385
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID30431505
• Nikkaji Number: J3.165.982E
• Wikidata: Q82245411
• Mol file: 1431-37-4.mol

Synonyms:Dihexyl Malonate;1431-37-4;Dihexyl Propanedioate;dihexylmalonate;Malonic Acid Dihexyl Ester;di-n-hexyl malonate;SCHEMBL240374;DTXSID30431505;1,3-DIHEXYL PROPANEDIOATE;BAA43137;MFCD06797099;AKOS024390674;Propanedioic acid, 1,3-dihexyl ester;AS-56777;CS-0446394;D3164;D90148

Chemical Property of Dihexyl Malonate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.4330-1.4370
• Boiling Point: 313.889oC at 760 mmHg
• Flash Point: 140.751oC
• PSA: 52.60000
• Density: 0.962g/cm3
• LogP: 3.62350
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 272.19875937
• Heavy Atom Count: 19
• Complexity: 214

Purity/Quality:

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

Dihexyl Malonate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC(=O)CC(=O)OCCCCCC

Technology Process of Dihexyl Malonate

There total 6 articles about Dihexyl Malonate 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%

malonic acid dimethyl ester (108-59-8) + hexan-1-ol (111-27-3) → malonic acid,di-n-hexyl ester (1431-37-4)

Guidance literature:

With oxo[hexa(trifluoroacetato)]tetrazinc; In toluene; for 68h; Reflux; Inert atmosphere; Schlenk technique;

DOI:10.1002/asia.201600062

Reference yield: 73.0%

cycl-isopropylidene malonate (2033-24-1) + hexan-1-ol (111-27-3) → malonic acid,di-n-hexyl ester (1431-37-4)

Guidance literature:

With oxo[hexa(trifluoroacetato)]tetrazinc; In toluene; for 68h; Reflux; Inert atmosphere; Schlenk technique;

DOI:10.1002/asia.201600062

Reference yield:

carbon suboxide (504-64-3) + sodium hexanolate (19779-06-7) → malonic acid,di-n-hexyl ester (1431-37-4)

Guidance literature:

upstream raw materials:

carbon suboxide

sodium hexanolate

malonic acid

hexan-1-ol

Downstream raw materials:

2-oxo-7-(4-pent-4-enyloxy-benzoyloxy)-2H-chromene-3-carboxylic acid hexyl ester

2,2-Bis-(3-tert-butyl-4-hydroxy-5-methyl-benzyl)-malonic acid dihexyl ester

Refernces

• 1、 Tian, Yanqing,Akiyama, Eiichi,Nagase, Yu. "Liquid crystalline cyclic tetramethyltetrasiloxanes containing coumarin moieties". . p. 1253 - 1258. Retrieved 2007/10/03.
• 2、 Kochergin, P. M.,Titkova, R. M.. "CHEMISTRY OF NITRO ESTERS XVII. METHOD FOR THE PRODUCTION OF MESOXALIC ESTERS". . p. 1042 - 1044. Retrieved 2007/10/02.