2-Heptyl butanoate

CAS Registry Number®

39026-94-3

CAS Name

2-Heptyl butanoate

Molecular Formula

C11H22O2

Molecular Mass

186.29

Cite this Page

2-Heptyl butanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39026-94-3 (retrieved 2024-11-22) (CAS RN: 39026-94-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    112 °C @ Press: 20 Torr

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=GTKUPJHQSAPWLL-UHFFFAOYSA-N

SMILES

O(C(CCCCC)C)C(CCC)=O

Canonical SMILES

O=C(OC(C)CCCCC)CCC

Other Names for this Substance

  • Butanoic acid, 1-methylhexyl ester
  • 2-Heptyl butyrate
  • 2-Heptyl butanoate
  • 1-Methylhexyl butanoate

Deleted or Replaced CAS Registry Numbers

139241-40-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration