1,1-Dimethylethyl benzenepropanoate

CAS Registry Number®

16537-10-3
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CAS Name

1,1-Dimethylethyl benzenepropanoate

Molecular Formula

C13H18O2

Molecular Mass

206.28

Cite this Page

1,1-Dimethylethyl benzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=16537-10-3 (retrieved 2024-04-20) (CAS RN: 16537-10-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    86-88 °C @ Press: 1.5 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O2/c1-13(2,3)15-12(14)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3

InChIKey

InChIKey=ZOJRGDRNISZTQS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenepropanoic acid, 1,1-dimethylethyl ester
  • Hydrocinnamic acid, tert-butyl ester
  • 1,1-Dimethylethyl benzenepropanoate
  • β-Phenylpropionic acid tert-butyl ester
  • tert-Butyl hydrocinnamate

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