Isobutyl gallate

CAS Registry Number®

3856-05-1

CAS Name

Isobutyl gallate

Molecular Formula

C11H14O5

Molecular Mass

226.23

Cite this Page

Isobutyl gallate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3856-05-1 (retrieved 2024-11-22) (CAS RN: 3856-05-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130-131 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H14O5/c1-6(2)5-16-11(15)7-3-8(12)10(14)9(13)4-7/h3-4,6,12-14H,5H2,1-2H3

InChIKey

InChIKey=UCLHVCFKZSLALE-UHFFFAOYSA-N

SMILES

C(OCC(C)C)(=O)C1=CC(O)=C(O)C(O)=C1

Canonical SMILES

O=C(OCC(C)C)C1=CC(O)=C(O)C(O)=C1

Other Names for this Substance

  • Benzoic acid, 3,4,5-trihydroxy-, 2-methylpropyl ester
  • Gallic acid, isobutyl ester
  • Isobutyl gallate
  • NSC 147482
  • 2-Methylpropyl 3,4,5-trihydroxybenzoate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration