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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Van Den Dool and Kratz 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
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | BP-1 | BP-1 | DB-5 |
| Column length (m) | 50. | 50. | 30. |
| Carrier gas | He | He | N2 |
| Substrate | |||
| Column diameter (mm) | 0.22 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 45. |
| Tend (C) | 220. | 220. | 180. |
| Heat rate (K/min) | 2. | 2. | 2.5 |
| Initial hold (min) | 10. | ||
| Final hold (min) | 20. | 20. | 20. |
| I | 1462. | 1461. | 1513. |
| Reference | Lesueur, de Rocca Serra, et al., 2007 | Boti J.B., Koukoua G., et al., 2005 | Zhang, Xu, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
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]
Notes
Go To: Top, Van Den Dool and Kratz 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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