tert-Butyl peroxy-3,5,5-trimethylhexanoate

CAS Registry Number®

13122-18-4
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CAS Name

tert-Butyl peroxy-3,5,5-trimethylhexanoate

Molecular Formula

C13H26O3

Molecular Mass

230.34

Cite this Page

tert-Butyl peroxy-3,5,5-trimethylhexanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13122-18-4 (retrieved 2024-08-11) (CAS RN: 13122-18-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H26O3/c1-10(9-12(2,3)4)8-11(14)15-16-13(5,6)7/h10H,8-9H2,1-7H3

InChIKey

InChIKey=VSJBBIJIXZVVLQ-UHFFFAOYSA-N

SMILES

C(CC(OOC(C)(C)C)=O)(CC(C)(C)C)C

Canonical SMILES

O=C(OOC(C)(C)C)CC(C)CC(C)(C)C

Other Names for this Substance

  • Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester
  • Peroxyhexanoic acid, 3,5,5-trimethyl-, tert-butyl ester
  • tert-Butyl 3,5,5-trimethylperoxyhexanoate
  • tert-Butyl peroxy-3,5,5-trimethylhexanoate
  • Trigonox 42

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Deleted or Replaced CAS Registry Numbers

153302-08-0