DIOCTYL MALONATE

Base Information

• Chemical Name: DIOCTYL MALONATE
• CAS No.: 16958-88-6
• Molecular Formula: C₁₉H₃₆O₄
• Molecular Weight: 328.492
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID3066138
• Nikkaji Number: J421.982A
• Wikidata: Q81992718
• Mol file: 16958-88-6.mol

Synonyms:Malonicacid, dioctyl ester (6CI,8CI); Propanedioic acid, dioctyl ester (9CI); Dioctylmalonate

Chemical Property of DIOCTYL MALONATE

Chemical Property:

• Vapor Pressure: 1.81E-05mmHg at 25°C
• Boiling Point: 363.4°Cat760mmHg
• Flash Point: 162.9°C
• PSA: 52.60000
• Density: 0.94g/cm³
• LogP: 5.18390
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 328.26135963
• Heavy Atom Count: 23
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

Dioctyl malonate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC(=O)CC(=O)OCCCCCCCC

Technology Process of DIOCTYL MALONATE

There total 5 articles about DIOCTYL 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: 85.0%

octanol (111-87-5) + malonoyl dichloride (1663-67-8) → dioctyl malonate (16958-88-6)

Guidance literature:

With pyridine; In 1,4-dioxane;

DOI:10.1055/s-1997-1344

Reference yield: 78.2%

octanol (111-87-5) + malonic acid (141-82-2) → dioctyl malonate (16958-88-6)

Guidance literature:

With diphenylammonium trifluoromethanesulfonate; In toluene; at 80 ℃; for 13h;

Reference yield:

octanol (111-87-5) + diethyl malonate (105-53-3) → dioctyl malonate (16958-88-6)

Guidance literature:

Yield given;

DOI:10.1016/0040-4039(96)00209-2

upstream raw materials:

octanol

malonic acid

diethyl malonate

malonoyl dichloride

Downstream raw materials:

dioctyl 2-[[(4,4'-dimethoxytrityl)oxy]methyl]-2-(hydroxymethyl)malonate

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

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

Refernces

• 1、 Santos, Leandro J.,Carvalhoda-Silva, Dayse,Rebouas, Júlio S.,Alves, Marcos R.A.,Idemori, Ynara M.,Matencio, Tulio,Freitas, Rossimiriam P.,Alves, Rosemeire B.. "Synthesis of new porphyrin/fullerene supramolecular assemblies: A spectroscopic and electrochemical investigation of their coordination equilibrium in solution". supporting information; experimental part. p. 228 - 235. Retrieved 2011/02/27.
• 2、 Tian, Yanqing,Akiyama, Eiichi,Nagase, Yu. "Liquid crystalline cyclic tetramethyltetrasiloxanes containing coumarin moieties". . p. 1253 - 1258. Retrieved 2007/10/03.