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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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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
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 25. | 30. |
| Carrier gas | H2 | N2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 50. | 60. |
| Tend (C) | 230. | 250. |
| Heat rate (K/min) | 3. | 5. |
| Initial hold (min) | ||
| Final hold (min) | 10. | |
| I | 1466. | 1499. |
| Reference | Tesso, König, et al., 2006 | Jassbi, Mehrdad, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
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, Normal alkane 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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