1-Methylpropyl octanoate

CAS Registry Number®

5458-61-7

CAS Name

1-Methylpropyl octanoate

Molecular Formula

C12H24O2

Molecular Mass

200.32

Cite this Page

1-Methylpropyl octanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5458-61-7 (retrieved 2025-02-03) (CAS RN: 5458-61-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95-97 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=YLQZZVGQNWNEFP-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC(C)CC)CCCCCCC

Other Names for this Substance

  • Octanoic acid, 1-methylpropyl ester
  • Octanoic acid, sec-butyl ester
  • 1-Methylpropyl octanoate
  • Caprylic acid 2-butanol ester
  • sec-Butyl octanoate

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