Dibutyl fumarate

Product Information

Molecular Formula:
C12H20O4
Molecular Weight:
228.29
Description
Dibutyl fumarate is a multifaceted chemical compound harnessed extensively within the biomedical domain. It emerges indispensably as a pharmaceutical constituent fostering the genesis of therapeutics for a myriad of maladies. Profiting from its inherent attributes and intricate molecular framework, it manifests as an influential constituent within therapeutic entities destined to counteract particular afflictions.
Synonyms
(E)-dibutylbutenedioate; Bisomer DBF; Butyl fumarate; butylfumarate; dibuthylfumarate; Dibutyl (2E)-2-butenedioate; Dibutyl ester of fumaric acid; dibutylester
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
285 ℃ / 760 mmHg
Melting Point
-18 ℃
Flash Point
142 ℃ (C.C)
Purity
BP 140-142deg/8 mm
Density
0.98
Appearance
CLEAR COLOURLESS LIQUID
Refractive Index
1.4450-1.4480

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3
2.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
10
Exact Mass
228.13615911 g/mol
Monoisotopic Mass
228.13615911 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
209
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
JP-2022037181-A A method for producing a chemically amplified photosensitive composition, a photosensitive dry film, and a method for producing a patterned resist film. 2021-12-22
JP-2022040149-A Adhesive composition and laminated film using it 2021-12-21
CN-114085314-A Aluminum baking varnish hydroxy acrylic resin and preparation method and application thereof 2021-12-16
CN-113969082-A Automobile interior trim skin material and preparation method and application thereof 2021-11-08
CN-113666792-A Green slow-burning pyrotechnic composition binder and preparation method thereof 2021-09-28
CN-113603717-A Preparation method of silicon modified asparagus polyurea resin and asparagus polyurea resin 2021-09-07
CN-113683947-A High-wear-resistance weather-resistant corrosion-resistant coating for locomotive, and preparation method and application thereof 2021-08-30
CN-113683947-B High-wear-resistance weather-resistant corrosion-resistant coating for locomotive, and preparation method and application thereof 2021-08-30
CN-113637398-A Bottom-surface integrated solvent-free polyaspartic acid ester heavy-duty anticorrosive paint, and preparation method and application thereof 2021-08-25
CN-113637398-B Bottom-surface integrated solvent-free polyaspartic acid ester heavy-duty anticorrosive paint, and preparation method and application thereof 2021-08-25

Literatures

PMID Publication Date Title Journal
321785 1977-04-01 Antifungal properties of 2-bromo-3-fluorosuccinic acid esters and related compounds Journal of medicinal chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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