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

• 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 Copy

  
• IUPAC Standard InChIKey: VHVOLFRBFDOUSH-UHFFFAOYSA-N Copy
• CAS Registry Number: 120-58-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Stereoisomers:
  • 1,3-Benzodioxole, 5-(1-propenyl)-, (Z)-
  • Benzene, 1,2-(methylenedioxy)-4-propenyl-, (E)-
• Other names: Benzene, 1,2-(methylenedioxy)-4-propenyl-; Isosafrole; Izosafrol; 1,2-(Methylenedioxy)-4-propenylbenzene; 3,4-(Methylenedioxy)-1-propenylbenzene; 4-Propenyl-1,2-methylenedioxybenzene; 4-Propenylcatechol methylene ether; 5-(1-Propenyl)-1,3-benzodioxole; Rcra waste number U141; Isosafrol; 1,3-Benzodioxole, 5-(1-propen-1-yl)-; 6-(1-Propenyl)-1,3-benzodioxole; NSC 4884; 5-prop-1-enyl-1,3-benzodioxole
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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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, isothermal

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Kovats' RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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Lee's 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.

Engewald, Knobloch, et al., 1991
Engewald, W.; Knobloch, T.; Haufe, G.; Muller, M.; Pohris, V., A Novel Method for Terpene Pattern Determination of Essential Oils by Selectivity Tuning in GC, Fresenius' J. Anal. Chem., 1991, 341, 10, 641-643, https://doi.org/10.1007/BF00322279 . [all data]

Khan, Srivastava, et al., 2003
Khan, M.; Srivastava, S.K.; Jain, N.; Syamasundar, K.V.; Yadav, A.K., Chemical composition of fruit and stem essential oils of Lantana camara from northern India, Flavour Fragr. J., 2003, 18, 5, 376-379, https://doi.org/10.1002/ffj.1197 . [all data]

Khan, Srivastava, et al., 2002
Khan, M.; Srivastava, S.K.; Syamasundar, K.V.; Singh, M.; Naqvi, A.A., Chemical composition of leaf and flower essential oil of Lantana camara from India, Flavour Fragr. J., 2002, 17, 1, 75-77, https://doi.org/10.1002/ffj.1047 . [all data]

Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S., Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill), Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Eckhardt. A.; Christiansen, C., Constituents of commercial Brazilian Iantana oil, Flavour Fragr. J., 1999, 14, 1, 15-28, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<15::AID-FFJ777>3.0.CO;2-M . [all data]

Stancher and Pertoldi, 1967
Stancher, B.; Pertoldi, M.G., Characterization of commercial materials used in synthetic essential oil production. Identification and gas-chromatographic determination of impurities, Rassegna chimica, 1967, 19, 3, 99-109. [all data]

Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W., Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]

Notes

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