Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-

• Formula: C₁₂H₁₆O₃
• Molecular weight: 208.2536
• IUPAC Standard InChI: InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3 Copy

  
• IUPAC Standard InChIKey: BPLQKQKXWHCZSS-UHFFFAOYSA-N Copy
• CAS Registry Number: 487-11-6
• 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.
• Other names: Benzene, 5-allyl-1,2,3-trimethoxy-; Elemicin; 3,4,5-Trimethoxyallylbenzene; 5-Allyl-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-(2-propenyl)-benzene; 1,2,3-Trimethoxy-5-allylbenzene; 4-Allyl-1,2,6-trimethoxybenzene; Benzene, 5-(2-propenyl)-1,2,3-trimethoxy; Elemicine; 1,2,3-trimethoxy-5-allylbenzene (elemicin)
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• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Normal alkane RI, non-polar column, custom temperature program

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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

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

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

Bai, Liu, et al., 2011
Bai, C.Q.; Liu, Z.L.; Liu, Q.Z., Nematicidal constituents from the essential oil of Chenopodium ambrosioides aerial parts, E-Journal of Chemistry, 2011, 8, S1, s143-s148, https://doi.org/10.1155/2011/470862 . [all data]

Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O., Variability of non-polar secondary metabolites in the Red Alga Portieria, Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438 . [all data]

Wang, Xu, et al., 2011
Wang, J.; Xu, L.; Yang, L.; Liu, Z.; Zhou, L., Composition, antibacterial and antioxidant activities of essential oils from Ligusticum sinense and L. jaholense (Unvelliferae) from China, Rec. Nat. Prod., 2011, 5, 4, 314-318. [all data]

Pontes, Silva, et al., 2010
Pontes, W.J.T.; Silva, J.M.O.; ds Camara, C.A.G.; Gondim-Junior, M.G.C.; Oliveira, J.V., Chemical composition and acaricidal activity of the essential oils from fruits and leaves of Protium bahianum Daly, J. Essential Oil Res., 2010, 22, 3, 279-282, https://doi.org/10.1080/10412905.2010.9700324 . [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

Delort and Jaquier, 2009
Delort, E.; Jaquier, A., Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract, Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922 . [all data]

Mendes, Trindade, et al., 2009
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Pedro, L.G.; Barroso, J.G., Chaerophyllum azoricun Trel. grown in the Azores archipelago, Portugal: evaluation of the genetic diversity using molecular markers and comparison with volatile oils profiles, Flavour Fragr. J., 2009, 24, 5, 259-265, https://doi.org/10.1002/ffj.1939 . [all data]

Chieng, Assim, et al., 2008
Chieng, T.C.; Assim, Z.B.; Fasihuddin, B.A., Toxicity and antitermite activities of the essential oils from Piper sarmentosum, The Malaysian J. Anal. Sci., 2008, 12, 1, 234-239. [all data]

Lo Presti, Sciarrone, et al., 2008
Lo Presti, M.; Sciarrone, D.; Crupi, M.C.; Costa, R.; Ragusa, S.; Dugo, G.; Mondello, L., Evaliation of the volatile and chiral composition in Pistacia lentiscus L. essential oil, Flavour Fragr. J., 2008, 23, 4, 249-257, https://doi.org/10.1002/ffj.1878 . [all data]

Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N., Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica, Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013 . [all data]

Hamm, Bleton, et al., 2005
Hamm, S.; Bleton, J.; Connan, J.; Tchapla, A., A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples, Phytochemistry, 2005, 66, 12, 1499-1514, https://doi.org/10.1016/j.phytochem.2005.04.025 . [all data]

Deng, Li, et al., 2004
Deng, C.; Li, N.; Zhang, X., Rapid determination of essential oil in Acorus tatarinowii Schott. by pressurized hot water extraction followed by solid-phase microextraction and gas chromatography-mass spectrometry, J. Chromatogr. A, 2004, 1059, 1-2, 149-155, https://doi.org/10.1016/j.chroma.2004.10.005 . [all data]

Silva, Matos, et al., 2004
Silva, M.G. deV.; Matos, F.J. de.A.; Lopes, P.R.O.; Silva, F.O.; Holanda, M.T., Composition of Essential Oils from Three Ocimum Species Obtained by Steam and Microwave Distillation and Supercritical CO2 Extraction, ARKIVOS, 2004, 6, 6, 66-71, https://doi.org/10.3998/ark.5550190.0005.609 . [all data]

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

Ansorena, Gimeno, et al., 2001
Ansorena, D.; Gimeno, O.; Astiasarán, I.; Bello, J., Analysis of volatile compounds by GC-MS of a dry fermented sausage: chorizo de Pamplona, Food Res. Int., 2001, 34, 1, 67-75, https://doi.org/10.1016/S0963-9969(00)00133-2 . [all data]

Dorman, Figueiredo, et al., 2000
Dorman, H.J.D.; Figueiredo, A.C.; Barroso, J.G.; Deans, S.G., In vitro evaluation of antioxidant activity of essential oils and their components, Flavour Fragr. J., 2000, 15, 1, 12-16, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<12::AID-FFJ858>3.0.CO;2-V . [all data]

da Silva, Figueiredo, et al., 1998
da Silva, J.A.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Gomes, M.A.; Fontinha, S.S.; Scheffer, J.J.C., Composition of the essential oil of Melanoselinum decipiens (Schrad. Wendl.) Hoffm., an endemic species of the Madeira and Azores archipelagos, Flavour Fragr. J., 1998, 13, 2, 90-92, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<90::AID-FFJ700>3.0.CO;2-D . [all data]

Figueiredo, Barroso, et al., 1997
Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Fontinha, S.S.; Looman, A.; Scheffer, J.J.C., Composition of the essential oil of Monizia edulis Lowe, an endemic species of the Madeira Archipelago, Flavour Fragr. J., 1997, 12, 1, 29-31, https://doi.org/10.1002/(SICI)1099-1026(199701)12:1<29::AID-FFJ607>3.0.CO;2-K . [all data]

Notes

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