1,3-Benzodioxole, 5-(1-propenyl)-, (Z)-

• Formula: C₁₀H₁₀O₂
• Molecular weight: 162.1852
• IUPAC Standard InChI: InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2- Copy

  
• IUPAC Standard InChIKey: VHVOLFRBFDOUSH-IHWYPQMZSA-N Copy
• CAS Registry Number: 17627-76-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • 1,3-Benzodioxole, 5-(1-propenyl)-
  • Benzene, 1,2-(methylenedioxy)-4-propenyl-, (E)-
• Other names: Benzene, 1,2-(methylenedioxy)-4-propenyl-, (Z)-; α-Isosafrole; cis-Isosafrole; cis-1,2-(Methylenedioxy)-4-propenylbenzene; (Z)-5-(propen-1-yl)-1,3-benzodioxole
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

de Feo, Porta, et al., 1998
de Feo, V.; Porta, G.D.; Urrunaga Soria, E.; Urrunaga Soria, R.; Senatore, F., Composition of the essential oil of Tagetes filifolia Lag., Flavour Fragr. J., 1998, 13, 3, 145-147, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<145::AID-FFJ707>3.0.CO;2-Q . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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