Dibutyl fumarate

• CAS: 105-75-9
• Catalog Number: ACM105759-1
• Category: Polymer/Macromolecule
• Molecular Weight: 228.28
• Molecular Formula: C12H20O4
• Synonyms: dibutyl (E)-but-2-enedioate
• IUPAC Name: Dibutyl (E)-but-2-enedioate
• Canonical SMILES: CCCCOC(=O)C=CC(=O)OCCCC
• InChI: InChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+
• InChI Key: JBSLOWBPDRZSMB-BQYQJAHWSA-N
• Boiling Point: 141 °C
• Melting Point: -18 °C
• Flash Point: 90 °C
• Density: 0.98 g/cm3
• Appearance: Colorless to Almost colorless clear liquid
• Active Content: 95%
• Alpha Sort: Dibutyl fumarate
• Complexity: 209
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• EC Number: 203-327-9
• Exact Mass: 228.1361
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCOC(=O)/C=C/C(=O)OCCCC
• Isotope Atom Count: 0
• Monoisotopic Mass: 228.1361
• NSC Number: 165581;140
• Physical State: Solid
• Rotatable Bond Count: 10
• Topological Polar Surface Area: 52.6 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• UNII: CQM31Z1NU9
• Viscosity: 6.9cp (25°C)
• XLogP3: 2.7
• XLogP3-AA: 2.7

Custom Q&A

What is the CAS number for Dibutyl fumarate?

The CAS number for Dibutyl fumarate is 105-75-9.

What is the molecular formula of Dibutyl fumarate?

The molecular formula of Dibutyl fumarate is C12H20O4.

What is the boiling point of Dibutyl fumarate?

The boiling point of Dibutyl fumarate is 141°C.

What is the melting point of Dibutyl fumarate?

The melting point of Dibutyl fumarate is -18°C.

What is the appearance of Dibutyl fumarate?

Dibutyl fumarate appears as colorless to almost colorless clear liquid.

What is the purity of Dibutyl fumarate?

The purity of Dibutyl fumarate is 97%.

What are some typical applications of Dibutyl fumarate?

Some typical applications of Dibutyl fumarate include use as a monomer and as a film-forming agent.

What is the physical state of Dibutyl fumarate?

The physical state of Dibutyl fumarate is solid.

What is the InChI Key for Dibutyl fumarate?

The InChI Key for Dibutyl fumarate is JBSLOWBPDRZSMB-BQYQJAHWSA-N.

What is the density of Dibutyl fumarate?

The density of Dibutyl fumarate is 0.98 g/cm3.