tert-Butyl octanoate

CAS Registry Number®

5457-66-9
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CAS Name

tert-Butyl octanoate

Molecular Formula

C12H24O2

Molecular Mass

200.32

Cite this Page

tert-Butyl octanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5457-66-9 (retrieved 2024-05-19) (CAS RN: 5457-66-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    241 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H24O2/c1-5-6-7-8-9-10-11(13)14-12(2,3)4/h5-10H2,1-4H3

InChIKey

InChIKey=BRHAUGJKIFZHDU-UHFFFAOYSA-N

SMILES

C(CCCCCCC)(OC(C)(C)C)=O

Canonical SMILES

O=C(OC(C)(C)C)CCCCCCC

Other Names for this Substance

  • Octanoic acid, 1,1-dimethylethyl ester
  • Octanoic acid, tert-butyl ester
  • tert-Butyl octanoate
  • 1,1-Dimethylethyl octanoate
  • NSC 23944

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