chempirical

tert-Butyl peroxy-2-ethylhexanoate

C12H24O3CAS 3006-82-4216.32 g/mol

Open in Covalent MOL file
OOO
Peroxide

Properties

Molecular formula
C12H24O3
Molar mass
216.32 g/mol
Exact mass
216.1725 Da
logP
3.48Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Identifiers

CAS number
3006-82-4
SMILES
CCCCC(CC)C(=O)OOC(C)(C)C
InChIKey
WYKYCHHWIJXDAO-UHFFFAOYSA-N
InChI
InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3

Weigh it out

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

Names and synonyms

29 names · show all
  • Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester
  • Peroxyhexanoic acid, 2-ethyl-, tert-butyl ester
  • tert-Butyl 2-ethylperhexanoate
  • tert-Butyl 2-ethylperoxyhexanoate
  • tert-Butyl 2-ethylhexaneperoxoate
  • Esperox 28
  • Chaloxyd P 1310
  • Chaloxyd P 1327
  • Perbutyl O
  • Lupersol PDO
  • Trigonox T 21S
  • Percure O
  • Trigonox 21
  • Interox TBPEH
  • Trigonox 21S
  • Trigonox 21OP050
  • Luperox 26
  • Trigonox 21C70
  • Lupersol PMS
  • TBPEH-LA-M 2
  • Luperox 26M50
  • Trigonox 21C50
  • Trigonox 210P50
  • 2-Ethylhexanoyl tert-butyl peroxide
  • tert-Buty-peroxy 2-ethylhexanoate
  • LQ-TBPEH
  • Curing agent OT
  • T 21S
  • Trigonox 21LS

Work with tert-Butyl peroxy-2-ethylhexanoate

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

Similar compounds

1,1′-[1,4-Cyclohexanediylbis(methylene)] bis(2-ethylhexanoate)53148-32-658 % similar tert-Butylperoxy 2-ethylhexyl carbonate34443-12-457 % similar Eastman teg-eh94-28-056 % similar Vinyl 2-ethylhexanoate94-04-255 % similar 2-Ethylhexanoic acid149-57-547 % similar 2-Ethylhexanoyl chloride760-67-847 % similar Manganese bis(2-ethylhexanoate)13434-24-744 % similar Calcium 2-ethylhexanoate136-51-644 % similar

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

Same formula

12-Hydroxydodecanoic acid505-95-3 2,4,6-Triisopropyl-1,3,5-trioxane7580-12-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook