Isobutyl octanoate

CAS Registry Number®

5461-06-3

CAS Name

Isobutyl octanoate

Molecular Formula

C12H24O2

Molecular Mass

200.32

Cite this Page

Isobutyl octanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5461-06-3 (retrieved 2024-11-22) (CAS RN: 5461-06-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-96 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(13)14-10-11(2)3/h11H,4-10H2,1-3H3

InChIKey

InChIKey=CFQRBRGFNFRMBD-UHFFFAOYSA-N

SMILES

C(OCC(C)C)(CCCCCCC)=O

Canonical SMILES

O=C(OCC(C)C)CCCCCCC

Other Names for this Substance

  • Octanoic acid, 2-methylpropyl ester
  • Octanoic acid, isobutyl ester
  • Isobutyl caprylate
  • Isobutyl octanoate
  • NSC 23943

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration