Isopropyl benzoate

CAS Registry Number®

939-48-0
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CAS Name

Isopropyl benzoate

Molecular Formula

C10H12O2

Molecular Mass

164.20

Cite this Page

Isopropyl benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=939-48-0 (retrieved 2024-03-29) (CAS RN: 939-48-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    216 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3

InChIKey

InChIKey=FEXQDZTYJVXMOS-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 1-methylethyl ester
  • Benzoic acid, isopropyl ester
  • Isopropyl benzoate
  • Benzoic acid iso-propyl ester
  • 1-Methylethyl benzoate

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