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:
  • Kovats' RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Phase change data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Kovats' RI, non-polar column, temperature ramp

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, Kovats' RI, non-polar column, temperature ramp, Notes

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

Tepe, Askin Akpulat, et al., 2006
Tepe, B.; Askin Akpulat, H.; Sokmen, M.; Daferera, D.; Yumrutas, O.; Aydin, E.; Polissiou, M.; Sokmen, A., Screening of the antioxidative and antimicrobial properties of the essential oils of Pimpinella anisetum and Pimpinella flabellifolia from Turkey, Food Chem., 2006, 97, 4, 719-724, https://doi.org/10.1016/j.foodchem.2005.05.045 . [all data]

Adams and Nguyen, 2005
Adams, R.P.; Nguyen, S., Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS), Phytologia, 2005, 87, 2, 96-108. [all data]

Medina, Lucero, et al., 2005
Medina, A.L.; Lucero, M.E.; Holguin, F.O.; Estell, R.E.; Posakony, J.J.; Simon, J.; O'Connell, M.A., Composition and antimicrobial activity of Anemopsis californica leaf oil, J. Agric. Food Chem., 2005, 53, 22, 8694-8698, https://doi.org/10.1021/jf0511244 . [all data]

Viña and Murillo, 2003
Viña, A.; Murillo, E., Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia, J. Braz. Chem. Soc., 2003, 14, 5, 744-749, https://doi.org/10.1590/S0103-50532003000500008 . [all data]

Juliani, Koroch, et al., 2002
Juliani, H.R., Jr.; Koroch, A.R.; Juliani, H.R.; Trippi, V.S.; Zygadlo, J.A., Intraespecific variation in leafoils of Lippia junelliana (mold.) tronc, Biochem. Syst. Ecol., 2002, 30, 2, 163-170, https://doi.org/10.1016/S0305-1978(01)00067-9 . [all data]

Juliani and Simon, 2002
Juliani, H.R.; Simon, J.E., Antioxidant acitivity of basil in Trends in new crops and new uses, Janick,J.; Whipkey,A., ed(s)., ASHA Press, Alexandria, Va, 2002, 575-579. [all data]

Mita, Tsitsimpikou, et al., 2002
Mita, E.; Tsitsimpikou, C.; Tsiveleka, L.; Petrakis, P.V.; Ortiz, A.; Vagias, C.; Roussis, V., Seasonal Variation of Oleoresin Terpenoids from Pinus halepensis and Pinus pinea and Host Selection of the Scale Insect Marchalina hellenica (Homoptera, Coccoidea, Margarodidae, Coelostonidiinae), Holzforschung, 2002, 56, 6, 572-578, https://doi.org/10.1515/HF.2002.087 . [all data]

Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G., Essential oils of Hypericum olympicum L. and Hypericum perforatum L., Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978 . [all data]

Raina, Srivastava, et al., 2001
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Ramesh, S.; Kumar, S., Essential oil composition of Cinnamomum zeylanicum Blume leaves from Little Andaman, India, Flavour Fragr. J., 2001, 16, 5, 374-376, https://doi.org/10.1002/ffj.1016 . [all data]

Adams, 2000
Adams, R.P., Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2 . [all data]

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]

Jantan I. and Ahmad A.S., 1999
Jantan I.; Ahmad A.S., Oleoresins of three pinus species from malaysian pine plantations, ASEAN Review of BiodiversityEnvironment Conservation, 1999, November-December, 1-9. [all data]

Senatore and de Feo, 1999
Senatore, F.; de Feo, V., Chemical composition of the essential oil from Tagetes mandonii Sch. Bip. (Asteraceae), Flavour Fragr. J., 1999, 14, 1, 32-34, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<32::AID-FFJ772>3.0.CO;2-7 . [all data]

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]

Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K., Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.), Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B . [all data]

Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F., Volatile components of chickpea (Cicer arietinum L.) seed, J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018 . [all data]

Notes

Go To: Top, Kovats' RI, non-polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

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