tert-Butyl benzoate

CAS Registry Number®

774-65-2

CAS Name

tert-Butyl benzoate

Molecular Formula

C11H14O2

Molecular Mass

178.23

Cite this Page

tert-Butyl benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=774-65-2 (retrieved 2024-12-19) (CAS RN: 774-65-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    213 °C

  • Density (2)

    0.9928 g/cm³ @ Temp: 25 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H14O2/c1-11(2,3)13-10(12)9-7-5-4-6-8-9/h4-8H,1-3H3

InChIKey

InChIKey=LYDRKKWPKKEMNZ-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)C1=CC=CC=C1

Canonical SMILES

O=C(OC(C)(C)C)C=1C=CC=CC1

Other Names for this Substance

  • Benzoic acid, 1,1-dimethylethyl ester
  • Benzoic acid, tert-butyl ester
  • Trimethylcarbinol benzoate
  • tert-Butyl benzoate
  • 1,1-Dimethylethyl benzoate

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