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)
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Mass spectrum (electron ionization)

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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

Spectrum

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Additional Data

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, temperature ramp

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

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Kovats' RI, polar column, isothermal

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Kovats' RI, polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Van Den Dool and Kratz RI, polar column, temperature ramp

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Normal alkane RI, non-polar column, isothermal

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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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References

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

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Adams and Nguyen, 2005
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Adams, 2000
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Adams, 2000, 2
Adams, R.P., The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3 . [all data]

Adams, 1999
Adams, R.P., Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2 . [all data]

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Dwivedi, Khan, et al., 2004
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Tudor, Moldovan, et al., 1999
Tudor, E.; Moldovan, D.; Zârna, N., Temperature dependence of the retention index for perfumery compounds on two carbowax-20M glass capillary columns with different film thickness. 2, Rev. Roum. Chim., 1999, 44, 7, 665-675. [all data]

Wong and Teng, 1994
Wong, K.C.; Teng, Y.E., Volatile Components of Mimusops elengi L. Flowers, J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425 . [all data]

Randriamiharisoa and Gaydou, 1987
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Benkaci-Ali, Baaliouamer, et al., 2007
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Flamini, Cioni, et al., 2007
Flamini, G.; Cioni, P.L.; Morelli, I.; Bader, A., Essential oils of the aerial parts of three Salvia species from Jordan: Salvia lanigera, S. spinosa and S. syriaca, Food Chem., 2007, 100, 2, 732-735, https://doi.org/10.1016/j.foodchem.2005.10.032 . [all data]

Politeo, Jukic, et al., 2007
Politeo, O.; Jukic, M.; Milos, M., Chemical composition and antioxidant capacity of free volatile aglycones from basil (Ocimum basilicum L.) compared with its essential oil, Food Chem., 2007, 101, 1, 379-385, https://doi.org/10.1016/j.foodchem.2006.01.045 . [all data]

Andrianoelisoa H.S., Menut C., et al., 2006
Andrianoelisoa H.S.; Menut C.; de Chatelperron P.C.; Saracco J.; Ramanoelina P.; Danthu P., Intraspecific chemical variability and highlighting of chemotypes of leaf essential oils from Ravensara aromatica Sonnerat a tree endemic to Madagascar, Flavour Fragr. J., 2006, 21, 5, 833-838, https://doi.org/10.1002/ffj.1735 . [all data]

Condurso, Verzera, et al., 2006
Condurso, C.; Verzera, A.; Romeo, V.; Ziino, M.; Trozzi, A.; Ragusa, S., The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry, Planta Medica, 2006, 72, 10, 924-928, https://doi.org/10.1055/s-2006-946679 . [all data]

Esmaeili, Nematollahi, et al., 2006
Esmaeili, A.; Nematollahi, F.; Rustaiyan, A.; Moazami, N.; Masoudi, S.; Bamasian, S., Volatile constituents of Achillea pachycephala, A. oxyodonta and A. biebersteinii from Iran, Flavour Fragr. J., 2006, 21, 2, 253-256, https://doi.org/10.1002/ffj.1571 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

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Zeller, A.; Rychlik, M., Character impact odorants of fennel fruits and fennel tea, J. Agric. Food Chem., 2006, 54, 10, 3686-3692, https://doi.org/10.1021/jf052944j . [all data]

Ziegenbein, Hanssen, et al., 2006
Ziegenbein, F.C.; Hanssen, H.-P.; König, W.A., Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus, Phytochemistry, 2006, 67, 2, 202-211, https://doi.org/10.1016/j.phytochem.2005.10.025 . [all data]

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Pino, Marbot, et al., 2002
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Montanarella, L.; Bos, R.; Fischer, F.C., The Essential Oil in Lamina and Petiole of Heracleum dissectum Leaves, Planta Medica, 1986, 52, 04, 332-334, https://doi.org/10.1055/s-2007-969171 . [all data]

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Bruni, R.; Bianchi, A.; Bellardi, M.G., Essential oil composition of Agastache anethiodora Britton (Lamiaceae) infected by cucumber mosaic virus (CMV), Flavour Fragr. J., 2007, 22, 1, 66-70, https://doi.org/10.1002/ffj.1760 . [all data]

Pérez, Navarro, et al., 2007
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Guerrini, Sacchetti, et al., 2006
Guerrini, A.; Sacchetti, G.; Muzzoli, M.; Rueda, G.M.; Medici, A.; Besco, E.; Bruni, R., Composition of the Volatile Fraction of Ocotea bofo Kunth (Lauraceae) Calyces by GC-MS and NMR Fingerprinting and Its Antimicrobial and Antioxidant Activity, J. Agric. Food Chem., 2006, 54, 20, 7778-7788, https://doi.org/10.1021/jf0605493 . [all data]

Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R., Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods, Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031 . [all data]

Sacchetti, Medici, et al., 2004
Sacchetti, G.; Medici, A.; Maietti, S.; Radice, M.; Muzzoli, M.; Manfredini, S.; Braccioli, E.; Bruni, R., Composition and functional properties of the essential oil of Amazonian basil, Ocimum micranthum Willd., Labiatae in comparison with commercial essential oils, J. Agric. Food Chem., 2004, 52, 11, 3486-3491, https://doi.org/10.1021/jf035145e . [all data]

Chung, Yung, et al., 2002
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Notes

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