1,1-Dimethylethyl 4-ethynylbenzoate

CAS Registry Number®

111291-97-5
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CAS Name

1,1-Dimethylethyl 4-ethynylbenzoate

Molecular Formula

C13H14O2

Molecular Mass

202.25

Cite this Page

1,1-Dimethylethyl 4-ethynylbenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111291-97-5 (retrieved 2024-07-08) (CAS RN: 111291-97-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    71.5-72 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C13H14O2/c1-5-10-6-8-11(9-7-10)12(14)15-13(2,3)4/h1,6-9H,2-4H3

InChIKey

InChIKey=FWAUARVBLKIMRS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-ethynyl-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-ethynylbenzoate
  • tert-Butyl 4-ethynylbenzoate