structure of Diallyl fumarate

Diallyl fumarate

CAS No.: 999-21-3
M. Wt: 196.200
M. Fa: C10H12O4
InChI Key: ZPOLOEWJWXZUSP-UHFFFAOYSA-N
Appearance: Colorless liquid

Names and Identifiers of Diallyl fumarate

CAS Number

999-21-3

EC Number

213-658-0

IUPAC Name

bis(prop-2-enyl) but-2-enedioate

InChI

InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2

InChIKey

ZPOLOEWJWXZUSP-UHFFFAOYSA-N

Canonical SMILES

C=CCOC(=O)C=CC(=O)OCC=C

Isomeric SMILES

C=CCOC(=O)/C=C/C(=O)OCC=C

UNII

K852LK4C5P

Physical and chemical properties of Diallyl fumarate

Boiling Point

263.7±20.0 °C at 760 mmHg

BRN

1725954

Density

1.1±0.1 g/cm3

Exact Mass

196.073563

Flash Point

124.6±20.2 °C

Index of Refraction

1.470

LogP

2.13

Melting Point

−47 °C(lit.)

Molecular Formula

C10H12O4

Molecular Weight

196.200

PSA

52.60000

Storage condition

2-8°C

Vapour density

6.6 (vs air)

Vapour Pressure

0.0±0.5 mmHg at 25°C

Water Solubility

Soluble in water 151.2 mg/L @ 25°C.

Safety Information of Diallyl fumarate

Pictograms

Signal Word

 Danger

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of Diallyl fumarate

Diallyl maleate has a wide range of applications across various industries:

  • Polymer Chemistry: It is extensively used as a monomer in the production of thermosetting resins and coatings due to its ability to form cross-linked networks.
  • Adhesives and Sealants: The compound's adhesive properties make it suitable for use in formulations for adhesives and sealants.
  • Pharmaceuticals: Its biological activities suggest potential applications in drug development, particularly in antimicrobial and anticancer formulations.

Interaction Studies of Diallyl fumarate

Interaction studies involving diallyl maleate focus on its reactivity with different nucleophiles and its behavior under polymerization conditions:

  • Reactivity with Nucleophiles: The compound's double bonds make it susceptible to nucleophilic attack, allowing for modifications that can tailor its properties for specific applications.
  • Polymerization Kinetics: Research has explored the kinetics of polymerization using diallyl maleate as a monomer, providing insights into optimal conditions for producing high-performance polymers.

Physical sample testing spectrum (NMR) of Diallyl fumarate

Physical sample testing spectrum (NMR) of Diallyl fumarate

Retrosynthesis analysis of Diallyl fumarate

  • Route#1

    Cas:107-18-6
    Cas:999-21-3

  • Route#2

    Cas:106-95-6
    Cas:6915-18-0
    Cas:999-21-3

  • Route#3

    Cas:106-95-6
    Cas:108-31-6
    Cas:999-21-3