Isobutyl cinnamate

CAS Registry Number®

122-67-8
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CAS Name

Isobutyl cinnamate

Molecular Formula

C13H16O2

Molecular Mass

204.26

Cite this Page

Isobutyl cinnamate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=122-67-8 (retrieved 2024-04-26) (CAS RN: 122-67-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    154 °C @ Press: 12 Torr

  • Density (1)

    1.0170 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H16O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3

InChIKey

InChIKey=IQZUZPKOFSOVET-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester
  • Cinnamic acid, isobutyl ester
  • Labdanol
  • Isobutyl cinnamate
  • NSC 404181

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