Diisobutyl fumarate

Base Information

• Chemical Name: Diisobutyl fumarate
• CAS No.: 7283-69-4
• Molecular Formula: C12H20 O4
• Molecular Weight: 228.288
• European Community (EC) Number: 230-706-6
• NSC Number: 58655
• UNII: 0M3MJB158J
• DSSTox Substance ID: DTXSID701032483
• Nikkaji Number: J49.568I,J520.500J
• Wikidata: Q27896015
• Mol file: 7283-69-4.mol

Synonyms:Diisobutyl fumarate;7283-69-4;FUMARIC ACID, DIISOBUTYL ESTER;2-Butenedioic acid (E)-, bis(2-methylpropyl) ester;Diisobutylester kyseliny fumarove;bis(2-methylpropyl) (E)-but-2-enedioate;EINECS 230-706-6;NSC 58655;Diisobutylester kyseliny fumarove [Czech];Fumaric Acid Diisobutyl Ester;AI3-32716;0M3MJB158J;NSC-58655;2-Butenedioic acid, bis(2-methylpropyl) ester, (E)-;Diisobutyl fumarate, 98%;UNII-0M3MJB158J;SCHEMBL317108;SCHEMBL429885;WLN: 1Y&1OV1 2U;Diisobutyl (2E)-2-butenedioate;RSRICHZMFPHXLE-AATRIKPKSA-N;DTXSID701032483;2-Butenedioic acid diisobutyl ester;NSC58655;MFCD00152430;AKOS015913865;fumaric acid bis-(2-methylpropyl) ester;LS-69839;4-(4-Bromophenyl)-Piperidine HCl (1:1);CS-0455306;D3915;F87446;1,4-BIS(2-METHYLPROPYL) BUT-2-ENEDIOATE;2-Butenedioic acid (E), di-2-methylpropyl ester;Q27896015;2-BUTENEDIOIC ACID (2E)-, BIS(2-METHYLPROPYL) ESTER

Chemical Property of Diisobutyl fumarate

Chemical Property:

• Vapor Pressure: 0.00316mmHg at 25°C
• Melting Point: 8 ºC
• Refractive Index: n20/D 1.443(lit.)
• Boiling Point: 249 ºC
• Flash Point: >110 ºC
• PSA: 52.60000
• Density: 0.978
• LogP: 1.94100
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 228.13615911
• Heavy Atom Count: 16
• Complexity: 228

Purity/Quality:

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

Diisobutyl Fumarate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)COC(=O)C=CC(=O)OCC(C)C
• Isomeric SMILES: CC(C)COC(=O)/C=C/C(=O)OCC(C)C
• Uses: Diisobutyl Fumarate is used in preparation of functional mixed plasticizer by variable pressure esterification.

Technology Process of Diisobutyl fumarate

There total 3 articles about Diisobutyl 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-methyl-propan-1-ol (78-83-1) + (2E)-but-2-enedioic acid (110-17-8,26099-09-2) → di-isobutylfumarate (7283-69-4)

Guidance literature:

With sulfuric acid; benzene;

Reference yield:

Isobutyl iodide (513-38-2) → di-isobutylfumarate (7283-69-4)

Guidance literature:

Reference yield:

→ di-isobutylfumarate (7283-69-4)

Guidance literature:

Maleinsaeure, Isobutanol;

upstream raw materials:

2-methyl-propan-1-ol

(2E)-but-2-enedioic acid

Isobutyl iodide

Downstream raw materials:

3,4-diisobutyl 2-methyl (2S,3S,4S,5R)-5-phenylpyrrolidine-2,3,4-tricarboxylate