DIOCTYL FUMARATE

Base Information

• Chemical Name: DIOCTYL FUMARATE
• CAS No.: 141-02-6
• Deprecated CAS: 15913-51-6
• Molecular Formula: C20H36O4
• Molecular Weight: 340.503
• Hs Code.: 29171900
• European Community (EC) Number: 205-448-2
• NSC Number: 163916,6375
• UNII: 19Q90W09ES
• DSSTox Substance ID: DTXSID2051710
• Nikkaji Number: J53.983J,J3.497.979K
• Mol file: 141-02-6.mol

Synonyms:Di(2-ethylhexyl) Fumarate;di-2-Ethylhexyl fumarate;2-BUTENEDIOIC ACID BIS(2-ETHYLHEXYL) ESTER;BIS(2-ETHYLHEXYL) FUMARATE;RC COMONOMER DOF;2-ETHYLHEXYL FUMARATE;DOF;

Chemical Property of DIOCTYL FUMARATE

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: −58 °C(lit.)
• Refractive Index: n20/D 1.458(lit.)
• Boiling Point: 185 °C / 5mmHg
• Flash Point: 190.4°C
• PSA: 52.60000
• Density: 0.945g/cm³
• LogP: 5.06180
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Methanol
• Water Solubility.: 1.19mg/L at 20℃
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 340.26135963
• Heavy Atom Count: 24
• Complexity: 329

Purity/Quality:

99.9% ^*data from raw suppliers

BIS-(2-ETHYLHEXYL) FUMARATE ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 24-26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Esters, Other
• Canonical SMILES: CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC
• Isomeric SMILES: CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC

Technology Process of DIOCTYL FUMARATE

There total 4 articles about DIOCTYL FUMARATE 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:

2-Ethylhexyl alcohol (104-76-7) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → bis(2-ethylhexyl) (2E)-2-butenedioate (141-02-6,128111-61-5,77666-69-4)

Guidance literature:

With sulfuric acid; toluene; beim Entfernen des gebildeten Wassers;

DOI:10.1021/ja01112a526

Reference yield:

1,4-bis(2-ethylhexyl) but-2-ynedioate → bis(2-ethylhexyl) (2E)-2-butenedioate (141-02-6,128111-61-5,77666-69-4)

Guidance literature:

With TPPMS (meta-monosulfonated triphenylphosphane, Na salt); water; for 24h; I₂₁₃;

DOI:10.1016/S0040-4039(00)79342-7

Reference yield:

1,4-bis(2-ethylhexyl) but-2-ynedioate → bis(2-ethylhexyl) maleate (142-16-5,128111-61-5,77666-69-4) + bis(2-ethylhexyl) (2E)-2-butenedioate (141-02-6,128111-61-5,77666-69-4)

Guidance literature:

With TPPMS (meta-monosulfonated triphenylphosphane, Na salt); water; for 24h;

DOI:10.1016/S0040-4039(00)79342-7

upstream raw materials:

maleic anhydride

2-Ethylhexyl alcohol

(2E)-but-2-enedioic acid

Downstream raw materials:

bis(2-ethylhexyl) sulfosuccinate

Refernces