chempirical

2-Ethylhexyl fumarate

C20H36O4CAS 141-02-6340.50 g/mol

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AlkeneEster

Properties

Molecular formula
C20H36O4
Molar mass
340.50 g/mol
Exact mass
340.2614 Da
Density
0.9398 g/mL (at 20 °C)
Boiling point
180–188 °C (at 5 Torr)
logP
5.06Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
14
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
141-02-6
SMILES
CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC
InChIKey
ROPXFXOUUANXRR-BUHFOSPRNA-N
InChI
InChI=1/C20H36O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13+

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • 2-Butenedioic acid (2E)-, 1,4-bis(2-ethylhexyl) ester
  • Fumaric acid, bis(2-ethylhexyl) ester
  • 2-Butenedioic acid (E)-, bis(2-ethylhexyl) ester
  • 2-Butenedioic acid (2E)-, bis(2-ethylhexyl) ester
  • Bis(2-ethylhexyl) fumarate
  • Dioctyl fumarate
  • DOF
  • RC Comonomer DOF
  • Maximol FOK 670
  • Di-2-ethylhexyl fumarate

Work with 2-Ethylhexyl fumarate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bis(2-ethylhexyl) maleate142-16-5Stereo not defined

Similar compounds

2-Ethylhexyl maleate7423-42-981 % similar 2-Ethylhexyl acrylate103-11-774 % similar 2-Ethylhexyl acetate103-09-363 % similar 2-Ethylhexyl peroxydicarbonate16111-62-963 % similar 2-Ethylhexyl chloroformate24468-13-163 % similar Octyl methoxycinnamate5466-77-362 % similar 2-Ethylhexyl trans-4-methoxycinnamate83834-59-762 % similar Bis(2-ethylhexyl) adipate103-23-161 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diisooctyl maleate1330-76-3 Di-n-octyl maleate2915-53-9

Elsewhere

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