Isobutyl stearate

CAS Registry Number®

646-13-9

CAS Name

Isobutyl stearate

Molecular Formula

C22H44O2

Molecular Mass

340.58

Cite this Page

Isobutyl stearate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=646-13-9 (retrieved 2024-11-21) (CAS RN: 646-13-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    223 °C @ Press: 15 Torr

  • Melting Point (1)

    28.9 °C

  • Density (1)

    0.8498 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3

InChIKey

InChIKey=ORFWYUFLWUWSFM-UHFFFAOYSA-N

SMILES

C(CC(OCC(C)C)=O)CCCCCCCCCCCCCCC

Canonical SMILES

O=C(OCC(C)C)CCCCCCCCCCCCCCCCC

Other Names for this Substance

  • Octadecanoic acid, 2-methylpropyl ester
  • Stearic acid, isobutyl ester
  • Isobutyl stearate
  • Isobutyl octadecanoate
  • 2-Methylpropyl stearate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration