Hexyl isobutyrate

CAS Registry Number®

2349-07-7

CAS Name

Hexyl isobutyrate

Molecular Formula

C10H20O2

Molecular Mass

172.26

Cite this Page

Hexyl isobutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2349-07-7 (retrieved 2024-11-22) (CAS RN: 2349-07-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    199 °C @ Press: 760 Torr

  • Density (1)

    0.8700 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3

InChIKey

InChIKey=CYHBDKTZDLSRMY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OCCCCCC)C(C)C

Other Names for this Substance

  • Propanoic acid, 2-methyl-, hexyl ester
  • Isobutyric acid, hexyl ester
  • Hexyl isobutyrate
  • n-Hexyl isobutyrate
  • 1-Hexyl isobutyrate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration