Isobutyl heptanoate

CAS Registry Number®

7779-80-8

CAS Name

Isobutyl heptanoate

Molecular Formula

C11H22O2

Molecular Mass

186.29

Cite this Page

Isobutyl heptanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7779-80-8 (retrieved 2024-11-21) (CAS RN: 7779-80-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    208 °C

  • Density (2)

    0.8593 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H22O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h10H,4-9H2,1-3H3

InChIKey

InChIKey=HXJOYVPESRRCDB-UHFFFAOYSA-N

SMILES

C(OCC(C)C)(CCCCCC)=O

Canonical SMILES

O=C(OCC(C)C)CCCCCC

Other Names for this Substance

  • Heptanoic acid, 2-methylpropyl ester
  • Heptanoic acid, isobutyl ester
  • Isobutyl heptanoate
  • Isobutyl heptylate
  • 2-Methylpropyl heptanoate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration