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, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-FFAP | TC-FFAP | Carbowax | DB-FFAP |
Column length (m) | 30. | 30. | 60. | 30. | |
Carrier gas | Helium | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 80. | 40. | 60. | 40. | 40. |
Tend (C) | 240. | 120. | 220. | 180. | 230. |
Heat rate (K/min) | 3. | 3. | 3. | 5. | 6. |
Initial hold (min) | 3. | 1. | |||
Final hold (min) | 2. | 5. | 30. | ||
I | 1685. | 1691. | 1683. | 1676. | 1671. |
Reference | Vahirua-Lechat, Mitermite, et al., 2010 | Guzman-Geronimo, Lopez, et al., 2008 | Kurose, Okamura, et al., 2007 | Singh, Kumar, et al., 2007 | Zeller and Rychlik, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | PEG-20M | HP-FFAP | BP-20 | PEG-20M |
Column length (m) | 30. | 30. | 30. | 25. | 50. |
Carrier gas | He | He | N2 | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 50. | 60. | 40. | 60. | 70. |
Tend (C) | 180. | 180. | 120. | 220. | 220. |
Heat rate (K/min) | 3. | 3. | 5. | 5. | 2. |
Initial hold (min) | 10. | 5. | |||
Final hold (min) | 40. | 30. | 3. | ||
I | 1661. | 1680. | 1691. | 1688. | 1660. |
Reference | Lee, Umano, et al., 2005 | Yao, Guo, et al., 2005 | López, Guzmán, et al., 2004 | Mallavarapu, Kulkarni, et al., 2004 | Orav and Kann, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CW 20M | CW 20M | CW 20M | CW 20M | CW 20M |
Column length (m) | 25. | 25. | 25. | 25. | 25. |
Carrier gas | Hydrogen | Hydrogen | Hydrogen | Hydrogen | Hydrogen |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 50. | 50. | 50. | 50. |
Tend (C) | 220. | 220. | 220. | 220. | 220. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | 1. | 1. | 1. | 1. | 1. |
Final hold (min) | 10. | 10. | 10. | 10. | 10. |
I | 1656. | 1656. | 1656. | 1656. | 1657. |
Reference | Bicchi, Binello, et al., 1999 | Bicchi, Binello, et al., 1999 | Bicchi, Binello, et al., 1999 | Bicchi, Binello, et al., 1999 | Bicchi, Binello, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | TC-Wax | DB-Wax | Supelcowax-10 | DB-Wax |
Column length (m) | 60. | 30. | 90. | 30. |
Carrier gas | Hydrogen | He | ||
Substrate | ||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.50 | 0.25 | ||
Tstart (C) | 80. | 30. | 35. | 70. |
Tend (C) | 240. | 190. | 220. | 200. |
Heat rate (K/min) | 3. | 3. | 2. | 4. |
Initial hold (min) | 5. | 6. | 20. | 2. |
Final hold (min) | 30. | |||
I | 1678. | 1682. | 1670. | 1674. |
Reference | Shuichi, Masazumi, et al., 1996 | Young, Gilbert, et al., 1996 | Girard and Lau, 1995 | Wyllie, Brophy, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Vahirua-Lechat, Mitermite, et al., 2010
Vahirua-Lechat, I.; Mitermite, Y.; Menut, C.,
Aromatic plants of French Polynesia. IV. Composition and chemical variations of the essential oils of leaves of Etlingera cevuga (seeman) R.E. Smith,
J. Essen. Oil Res., 2010, 22, 5, 407-409, https://doi.org/10.1080/10412905.2010.9700357
. [all data]
Guzman-Geronimo, Lopez, et al., 2008
Guzman-Geronimo, R.; Lopez, M.G.; Dorantes-Alvarez, L.,
Microwave processing of avocado: volatile flavor profiling and olfactometry,
Innvative Food Sci. Eng. Technol., 2008, 9, 501-506. [all data]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
. [all data]
Singh, Kumar, et al., 2007
Singh, B.; Kumar, R.; Bhandari, S.; Pathania, S.; Lal, B.,
Volatile constituents of natural Boswellia serrata oleo-gum-resin and commercial samples,
Flavour Fragr. J., 2007, 22, 2, 145-147, https://doi.org/10.1002/ffj.1772
. [all data]
Zeller and Rychlik, 2007
Zeller, A.; Rychlik, M.,
Impact of estragole and other odorants on the flavour of anise and tarragon,
Flavour Fragr. J., 2007, 22, 2, 105-113, https://doi.org/10.1002/ffj.1765
. [all data]
Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G.,
Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056
. [all data]
Yao, Guo, et al., 2005
Yao, S.-S.; Guo, W.-F.; Lu, Y.; Jiang, Y.-X.,
Flavor Characteristics of Lapsang Souchong and Smoked Lapsang Souchong, a Special Chinese Black Tea with Pine Smoking Process,
J. Agric. Food Chem., 2005, 53, 22, 8688-8693, https://doi.org/10.1021/jf058059i
. [all data]
López, Guzmán, et al., 2004
López, M.G.; Guzmán, G.R.; Dorantes, A.L.,
Solid-phase microextraction and gas chromatography-mass spectrometry of volatile compounds from avocado puree after microwave processing,
J. Chromatogr. A, 2004, 1036, 1, 87-90, https://doi.org/10.1016/j.chroma.2004.03.020
. [all data]
Mallavarapu, Kulkarni, et al., 2004
Mallavarapu, G.R.; Kulkarni, R.N.; Baskaran, K.; Ramesh, S.,
The essential oil composition of anise hyssop grown in India,
Flavour Fragr. J., 2004, 19, 4, 351-353, https://doi.org/10.1002/ffj.1316
. [all data]
Orav and Kann, 2001
Orav, A.; Kann, J.,
Determination of peppermint and orange aroma compounds in food and beverages,
Proc. Est. Acad. Sci. Chem., 2001, 50, 4, 217-225. [all data]
Bicchi, Binello, et al., 1999
Bicchi, C.; Binello, A.; D'Amato, A.; Rubiolo, P.,
Reliability of Van den Dool retention indices in the analysis of essential oils,
J. Chromatogr. Sci., 1999, 37, 8, 288-294, https://doi.org/10.1093/chromsci/37.8.288
. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Young, Gilbert, et al., 1996
Young, H.; Gilbert, J.M.; Murray, S.H.; Ball, R.D.,
Causal effects of aroma compounds on Royal Gala apple flavours,
J. Sci. Food Agric., 1996, 71, 3, 329-336, https://doi.org/10.1002/(SICI)1097-0010(199607)71:3<329::AID-JSFA588>3.0.CO;2-8
. [all data]
Girard and Lau, 1995
Girard, B.; Lau, O.L.,
Effect of maturity and storage on quality and volatile production of 'Jonagold' apples,
Food Res. Int., 1995, 28, 5, 465-471, https://doi.org/10.1016/0963-9969(96)81393-7
. [all data]
Wyllie, Brophy, et al., 1990
Wyllie, S.G.; Brophy, J.J.; Sarafis, V.; Hobbs, M.,
Volatile Components of the Fruit of Pistacia Lentiscus,
J. Food. Sci., 1990, 55, 5, 1325-1326, https://doi.org/10.1111/j.1365-2621.1990.tb03926.x
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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