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
- 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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Van Den Dool and Kratz 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-52 | HP-5MS | SE-52 | 5 % Phenyl methyl siloxane | SE-52 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.52 |
| Phase thickness (μm) | 0.15 | 0.25 | 0.15 | 0.15 | 0.15 |
| Program | 45C => 1C/min => 100C => 5C/min => 250C(10min) | 50C(4min) => 10C/min => 200C(0.5min) => 20C/min => 260C(5min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| I | 1198. | 1188. | 1198. | 1196. | 1196. |
| Reference | Bruni, Bianchi, et al., 2007 | Pérez, Navarro, et al., 2007 | Guerrini, Sacchetti, et al., 2006 | Sacchetti, Maietti, et al., 2005 | Sacchetti, Medici, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Bruni, Bianchi, et al., 2007
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
Pérez, R.A.; Navarro, T.; de Lorenzo, C.,
HS-SPME analysis of the volatile compounds from spices as a source of flavour in 'Campo Real' table olive preparations,
Flavour Fragr. J., 2007, 22, 4, 265-273, https://doi.org/10.1002/ffj.1791
. [all data]
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]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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