trans-Isosafrole

CAS Registry Number®

4043-71-4
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CAS Name

trans-Isosafrole

Molecular Formula

C10H10O2

Molecular Mass

162.19

Cite this Page

trans-Isosafrole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4043-71-4 (retrieved 2024-04-23) (CAS RN: 4043-71-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    123 °C @ Press: 11.5 Torr

  • Melting Point (2)

    8.2 °C

  • Density (1)

    1.1227 g/cm³ @ Temp: 17.521 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+

InChIKey

InChIKey=VHVOLFRBFDOUSH-NSCUHMNNSA-N

SMILES

C(=C/C)\C=1C=C2C(=CC1)OCO2

Canonical SMILES

O1C2=CC=C(C=CC)C=C2OC1

Other Names for this Substance

  • 1,3-Benzodioxole, 5-(1E)-1-propen-1-yl-
  • Benzene, 1,2-(methylenedioxy)-4-propenyl-, (E)-
  • 1,3-Benzodioxole, 5-(1-propenyl)-, (E)-
  • 1,3-Benzodioxole, 5-(1E)-1-propenyl-
  • 5-(1E)-1-Propen-1-yl-1,3-benzodioxole

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