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
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 °C / 760 mmHg
Melting Point
-18 °C
Flash Point
142 °C (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.
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].
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 |
