Estragole
- Formula: C10H12O
- Molecular weight: 148.2017
- IUPAC Standard InChIKey: ZFMSMUAANRJZFM-UHFFFAOYSA-N
- 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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Normal alkane RI, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M Innowax | DB-Wax | DB-Wax | HP-20M | DB-Wax |
Column length (m) | 30. | 20. | 30. | 60. | |
Carrier gas | Nitrogen | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.18 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.18 | 0.50 | 0.25 | |
Program | 50 0C (7 min) 20 0C/min -> 130 0C (1 min) 1 0C/min -> 150 0C 8 0C/min -> 190 0C (5 min) | 35 0C (1 min) 2/9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min) | 40 0C 7 0C/min -> 110 0C 15 0C/min -> 250 0C (3 min) | not specified | 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) |
I | 1662. | 1649. | 1683. | 1669. | 1679. |
Reference | Wang, Tian, et al., 2013 | Rowan, Hunt, et al., 2009 | Valappil, Fan, et al., 2009 | Chaieb, Hajlaoui, et al., 2007 | Mattheis, Fan, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Carbowax 20M | HP-Innowax FSC | NB-351 | Carbowax 20M |
Column length (m) | 60. | 25. | ||
Carrier gas | He | |||
Substrate | ||||
Column diameter (mm) | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.2 | ||
Program | not specified | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C(40min) | 40C(5min) => 4C/min => 170C => 8C/min => 240C (12min) | not specified |
I | 1652. | 1687. | 1679. | 1652. |
Reference | Vinogradov, 2004 | Kürkcüoglu, Demirci, et al., 2003 | Kerrola, Galambosi, et al., 1994 | Shibamoto, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Wang, Tian, et al., 2013
Wang, G.-J.; Tian, L.; Fan, Y.-M.; Qi, M.-L.,
Headspace single drop microextraction gas chromatography mass spectrometry for the analysis of volatile compounds from herba Asari,
J. Anal. Methods in Chemistry, 2013, 1-6. [all data]
Rowan, Hunt, et al., 2009
Rowan, D.D.; Hunt, M.B.; Dimouro A.; Alspach P.A.; Weskett R.; Volz, R.K.; Gardiner, S.E.; Chagne, D.,
Profiling fruit volatiles in the progeny of a Royal Gala x Granny Smith apple (Malus x domestica) cross,
J. Agr. Food Chem., 2009, 57, 17, 7953-7961, https://doi.org/10.1021/jf901678v
. [all data]
Valappil, Fan, et al., 2009
Valappil, Z.A.; Fan, X.; Zhang, H.Q.; Rouseff, R.L.,
Impact of thermal and nonthermal processing technologies on unfermented apple cider aroma vilatiles,
J. Agric. Food Chem., 2009, 57, 3, 924-929, https://doi.org/10.1021/jf803142d
. [all data]
Chaieb, Hajlaoui, et al., 2007
Chaieb, K.; Hajlaoui, H.; Zmantar, T.; Ben Kahla-Nakbi, A.; Rouabhia, M.; Mahdouani, K.; Bakhrouf, A.,
The chemical composition and biological activity of clove essential oil, Eugenia caryophyllata (Syzigium aromaticum L. Myrtaceae): a short review,
Phytoterapy Res., 2007, 21, 6, 501-506, https://doi.org/10.1002/ptr.2124
. [all data]
Mattheis, Fan, et al., 2005
Mattheis, J.P.; Fan, X.; Argenta, L.C.,
Interactive Responses of Gala Apple Fruit Volatile Production to Controlled Atmosphere Storage and Chemical Inhibition of Ethylene Action,
J. Agric. Food Chem., 2005, 53, 11, 4510-4516, https://doi.org/10.1021/jf050121o
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Kürkcüoglu, Demirci, et al., 2003
Kürkcüoglu, M.; Demirci, B.; Tabanca, N.; Özek, T.; Baser, K.H.C.,
The essential oil of Achillea falcata L.,
Flavour Fragr. J., 2003, 18, 3, 192-194, https://doi.org/10.1002/ffj.1176
. [all data]
Kerrola, Galambosi, et al., 1994
Kerrola, K.; Galambosi, B.; Kallio, H.,
Volatile components and odor intensity of four phenotypes of hyssop (Hyssopus officinalis L.),
J. Agric. Food Chem., 1994, 42, 3, 776-781, https://doi.org/10.1021/jf00039a035
. [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, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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