4-Methoxysafrole
- Formula: C11H12O3
- Molecular weight: 192.2112
- IUPAC Standard InChI: InChI=1S/C11H12O3/c1-3-4-8-5-10-11(14-7-13-10)6-9(8)12-2/h3,5-6H,1,4,7H2,2H3
- IUPAC Standard InChIKey: FYRHTIWFKXZWAD-UHFFFAOYSA-N
- CAS Registry Number: 18607-93-7
- 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: 5-methoxy-6-(2-propenyl)-1,3-benzodioxole; Asaricin; Sarisane; Benzene, 1-allyl-2-methoxy-4,5-methylenedioxy
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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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1489. | Bizzo, Lopes, et al., 2001 | Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1462. | Lesueur, de Rocca Serra, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | BP-1 | 1461. | Boti J.B., Koukoua G., et al., 2005 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-5 | 1513. | Zhang, Xu, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 45. C @ 10. min, 2.5 K/min, 180. C @ 20. min |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 2187. | Lesueur, de Rocca Serra, et al., 2007 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | BP-20 | 2199. | Boti J.B., Koukoua G., et al., 2005 | 50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1466. | Tesso, König, et al., 2006 | H2, 3. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 230. C |
| Capillary | CP Sil 5 CB | 1499. | Jassbi, Mehrdad, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bizzo, Lopes, et al., 2001
Bizzo, H.R.; Lopes, D.; Abdala, R.V.; Pimentel, F.A.; de Souza, J.A.; Pereira, M.V.G.; Bergter, L.; Guimaraes, E.F.,
Sarisan from leaves of Piper affinis hispidinervum C. DC (long pepper),
Flavour Fragr. J., 2001, 16, 2, 113-115, https://doi.org/10.1002/ffj.957
. [all data]
Lesueur, de Rocca Serra, et al., 2007
Lesueur, D.; de Rocca Serra, D.; Bighelli, A.; Hoi, T.M.; Ban, N.K.; Thai, T.H.; Casanova, J.,
Chemical composition and antibacterial activity of the essential oil of Michelia foveolata Merryll ex Dandy from Vietnam,
Flavour Fragr. J., 2007, 22, 4, 317-321, https://doi.org/10.1002/ffj.1799
. [all data]
Boti J.B., Koukoua G., et al., 2005
Boti J.B.; Koukoua G.; N'Guessan T.Y.; Muselli A.; Bernardini A.F.; Casanova J.,
Composition of the leaf, stem bark and root bark oils of Isolona cooperi investigated by GC (retention index), GC-MS and C-13-NMR spectroscopy,
Phytochem. Anal., 2005, 16, 5, 357-363, https://doi.org/10.1002/pca.857
. [all data]
Zhang, Xu, et al., 2005
Zhang, F.; Xu, Q.; Fu, S.; Ma, X.; Xiao, H.; Liang, X.,
Chemical constituents of the essential oil of Asarum forbesii Maxim (Aristolochiaceae),
Flavour Fragr. J., 2005, 20, 3, 318-320, https://doi.org/10.1002/ffj.1423
. [all data]
Tesso, König, et al., 2006
Tesso, H.; König, W.A.; Son, P.T.; Giang, P.M.,
Composition of the essential oil of flowers of Chloranthus spicatus (Thunb.) Makino,
Flavour Fragr. J., 2006, 21, 4, 592-597, https://doi.org/10.1002/ffj.1528
. [all data]
Jassbi, Mehrdad, et al., 2005
Jassbi, A.R.; Mehrdad, M.; Soleimani, M.; Mirzaeian, M.; Sonboli, A.,
Chemical composition of the essential oils of Bunium elegans and Bunium caroides,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 4, 415-417, https://doi.org/10.1007/s10600-005-0165-0
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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