Diisobutyl fumarate

Name: Diisobutyl fumarate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C12H20O4

Molecular Weight:

228.28

CAS Number:

7283-69-4

Catalog Number:

7283-69-4

Product Information

Molecular Formula:

C12H20O4

Molecular Weight:

228.28

Description

DES and 1-octanol can be blended with B5 palm oil biodiesel to improve the oxygen content and achieve a greener emission of combustion gases. It may also be used as a novel and highly efficient solvent to capture carbon dioxide(CO2) which can be potentially used as a technique to reduce carbon emission.

Synonyms

2-Butenedioic acid (E)-, bis(2-methylpropyl) ester; Diisobutyl (2E)-2-butenedioate; Diisobutylester kyseliny fumarove; diisobutylesterkyselinyfumarove; Fumaric acid, diisobutyl ester; fumaricacid,diisobutylester; fumaricacidbis-(2-methylpropyl)ester; DIISOBUTYL

IUPAC Name

bis(2-methylpropyl) (E)-but-2-enedioate

Canonical SMILES

CC(C)COC(=O)C=CC(=O)OCC(C)C

InChI

InChI=1S/C12H20O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6,9-10H,7-8H2,1-4H3/b6-5+

InChI Key

RSRICHZMFPHXLE-AATRIKPKSA-N

Boiling Point

249°C

Melting Point

8°C

Flash Point

>235.4 °F

Purity

BP 192-230deg/8 mm

Density

0.978

Appearance

liquid

Storage

Keep tightly closed. Store in a cool dry place.

Refractive Index

n20/D 1.443 (lit.)

Computed Properties

XLogP3

2.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

228.13615911 g/mol

Monoisotopic Mass

228.13615911 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

228

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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