Ethyl 4-(1,1-dimethylethyl)benzoate

CAS Registry Number®

5406-57-5

CAS Name

Ethyl 4-(1,1-dimethylethyl)benzoate

Molecular Formula

C13H18O2

Molecular Mass

206.28

Cite this Page

Ethyl 4-(1,1-dimethylethyl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5406-57-5 (retrieved 2024-11-24) (CAS RN: 5406-57-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    120.0-120.5 °C @ Press: 4 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3

InChIKey

InChIKey=LIQWHXBLFOERRD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-(1,1-dimethylethyl)-, ethyl ester
  • Benzoic acid, p-tert-butyl-, ethyl ester
  • Ethyl 4-(1,1-dimethylethyl)benzoate
  • Ethyl 4-tert-butylbenzoate
  • Ethyl p-tert-butylbenzoate

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