Isoamyl octanoate

CAS Registry Number®

2035-99-6

CAS Name

Isoamyl octanoate

Molecular Formula

C13H26O2

Molecular Mass

214.34

Cite this Page

Isoamyl octanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2035-99-6 (retrieved 2024-11-22) (CAS RN: 2035-99-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    267-268 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3

InChIKey

InChIKey=XKWSWANXMRXDES-UHFFFAOYSA-N

SMILES

O(C(CCCCCCC)=O)CCC(C)C

Canonical SMILES

O=C(OCCC(C)C)CCCCCCC

Other Names for this Substance

  • Octanoic acid, 3-methylbutyl ester
  • Octanoic acid, isopentyl ester
  • Isopentyl alcohol, octanoate
  • Isoamyl caprylate
  • Isoamyl octanoate

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