Isosafrole

CAS Registry Number®

120-58-1

CAS Name

Isosafrole

Molecular Formula

C10H10O2

Molecular Mass

162.19

Cite this Page

Isosafrole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120-58-1 (retrieved 2024-11-24) (CAS RN: 120-58-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    252 °C
  • Melting Point (1)

    6.7-6.8 °C
  • Density (1)

    1.122 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

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

InChIKey

InChIKey=VHVOLFRBFDOUSH-UHFFFAOYSA-N

SMILES

C(=CC)C=1C=C2C(=CC1)OCO2

Canonical SMILES

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

Other Names for this Substance

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

Deleted or Replaced CAS Registry Numbers

191281-03-5

CAS INSIGHTSTM
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