Estragole

• Formula: C₁₀H₁₂O
• Molecular weight: 148.2017
• IUPAC Standard InChI: InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3 Copy

  
• IUPAC Standard InChIKey: ZFMSMUAANRJZFM-UHFFFAOYSA-N Copy
• CAS Registry Number: 140-67-0
• 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: Tarragon; Anisole, p-allyl-; Chavicol, O-methyl-; p-Allylanisole; p-Methoxyallylbenzene; Chavicol methyl ether; Esdragol; Esdragole; Esdragon; Estragol; Isoanethole; Methyl chavicol; 1-Allyl-4-methoxybenzene; 3-(p-Methoxyphenyl)propene; 4-Allylanisole; 4-Allylmethoxybenzene; 4-Methoxyallylbenzene; 4-Allyl-1-methoxybenzene; p-Allylmethoxybenzene; 1-Methoxy-4-(2-propenyl)benzene; NCI-C60946; Chavicol, methyl-; Ether, p-allylphenyl methyl; p-Allylphenyl methyl ether; Chavicyl methyl ether; 1-methoxy-4-prop-2-enylbenzene; Benzene, 1-methoxy-4-(2-propenyl)-; Benzene, 1-methoxy, 4-prop-2-enyl; Methyl chavicole; para-Allylanisole; Benzene, 1-methoxy-4-(2-propen-1-yl)-; NSC 404113; Estragol (Methylchavicol); methyl chavicole (estragole); para-Allylanisole (estragole)
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• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Normal alkane RI, non-polar column, custom temperature program

Go To: Top, References, Notes

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.

Albano, Lima, et al., 2012
Albano, S.M.; Lima, A.S.; Miguel, M.G.; Pedro, L.G.; Barroso, J.G.; Figueiredo, A.C., Antioxidant, anti-5-lipoxygenase and antiacetylcholinesterase activities of essential oils and decoction water of some aromatic plants, Rec. Nat. Prod., 2012, 6, 1, 35-48. [all data]

Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A., Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria, Chem. Centr. J., 2012, 6, 48, 1-22. [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]

Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J., Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation, Chem, Centr. J., 2010, 4, 16, 1-15. [all data]

Xie, Sun, et al., 2008
Xie, J.; Sun, B.; Zheng, F.; Wang, S., Volatile flavor constituents in roasted pork of mini-pig, Food Chem., 2008, 109, 3, 506-514, https://doi.org/10.1016/j.foodchem.2007.12.074 . [all data]

Karlshøj, Nielsen, et al., 2007
Karlshøj, K.; Nielsen, P.V.; Larsen, T.O., Prediction of Penicillium expansum Spoilage and Patulin Concentration in Apples Used for Apple Juice Production by Electronic Nose Analysis, J. Agric. Food Chem., 2007, 55, 11, 4289-4298, https://doi.org/10.1021/jf070134x . [all data]

Santos, Santiago, et al., 2007
Santos, H.S.; Santiago, G.M.P.; de Oliveira, J.P.P.; Arriaga, A.M.C.; Marques, D.D.; Lemos, T.L.G., Chemical composition and larvicidal activity against Aedes aegypti of essential oils from Croton zehntneri, Natural Product Communications, 2007, 2, 12, 1233-1236. [all data]

de Lima, Maia, et al., 2006
de Lima, M.G.A.; Maia, I.C.C.; de Sousa, M.D.; de Morais, S.M.; Freitas, S.M., Effect of stalk and leaf extracts from euphorbiaceae species on Aedes aegypti (Diptera, culicidae) larvae, Rev. Inst. Med. trop. S. Paulo, 2006, 48, 4, 211-214, https://doi.org/10.1590/S0036-46652006000400007 . [all data]

Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M., Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity, Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020 . [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]

Crook, Boylston, et al., 2004
Crook, L.R.; Boylston, T.D.; Glatz, B.A., Effect of gas environment and sorbate addition on flavor characteristics of irradiated apple cider during storage, J. Agric. Food Chem., 2004, 52, 23, 6997-7004, https://doi.org/10.1021/jf049454w . [all data]

El-Shazily, Hafez, et al., 2004
El-Shazily, A.M.; Hafez, S.S.; Wink, M., Comparative study of the essential oils and extracts of Achillea fragrantissima (Forssk.) Sch. Bip. and Achillea santolina L. (Asteraceae) from Egypt, Pharmazie, 2004, 59, 226-230. [all data]

Lo Cantore, Iacobellis, et al., 2004
Lo Cantore, P.; Iacobellis, N.S.; de Marco, A.; Capasso, F.; Senatore, F., Antibacterial activity of Coriandrum sativum L. and Foeniculum vulgare Miller Var. vulgare (Miller) essential oils, J. Agric. Food Chem., 2004, 52, 26, 7862-7866, https://doi.org/10.1021/jf0493122 . [all data]

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

Silva, Matos, et al., 2003
Silva, M.G.V.; Matos, F.J.A.; Machado, M.I.L.; Craveiro, A.A., Essential oils of Ociumum basilicum L., O. basilicum. var. minimum L. and O. basilicum. var. purpurascens Benth. grown in north-eastern Brazil, Flavour Fragr. J., 2003, 18, 1, 13-14, https://doi.org/10.1002/ffj.1134 . [all data]

Baratta, Dorman, et al., 1998
Baratta, M.T.; Dorman, H.J.; Deans, S.G.; Figueiredo, A.C.; Barroso, J.G.; Ruberto, G., Antimicrobial and antioxidant properties of some commercial essential oils, Flavour Fragr. J., 1998, 13, 4, 235-244, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<235::AID-FFJ733>3.0.CO;2-T . [all data]

Guyot, Bouseta, et al., 1998
Guyot, C.; Bouseta, A.; Scheirman, V.; Collin, S., Floral origin markers of chestnut and lime tree honeys, J. Agric. Food Chem., 1998, 46, 2, 625-633, https://doi.org/10.1021/jf970510l . [all data]

Sanda, Koba, et al., 1998
Sanda, K.; Koba, K.; Nambo, P.; Gaset, A., Chemical investigation of Ocimum species growing in Togo, Flavour Fragr. J., 1998, 13, 4, 226-232, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<226::AID-FFJ717>3.0.CO;2-H . [all data]

Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A., Constituents of the essential oil of Achillea eriophora DC, Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E . [all data]

Zenkevich, 1997
Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons, Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]

Notes

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

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