1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)-
- Formula: C12H14O4
- Molecular weight: 222.2372
- IUPAC Standard InChI: InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3
- IUPAC Standard InChIKey: LIKYNOPXHGPMIH-UHFFFAOYSA-N
- CAS Registry Number: 484-31-1
- 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: Benzene, 1-allyl-2,3-dimethoxy-4,5-(methylenedioxy)-; Dill apiol; Dill apiole; 1-Allyl-2,3-dimethoxy-4,5-methylenedioxybenzene; 6-Allyl-4,5-dimethoxy-1,3-benzodioxole
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- Other data available:
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Normal alkane RI, polar column, custom temperature program
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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 | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-Innowax FSC | Innowax FSC | Carbowax 20M | Innowax |
| Column length (m) | 60. | 60. | 60. | |
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Program | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C |
| I | 2384. | 2384. | 2370. | 2384. |
| Reference | Tabanca, Demirci, et al., 2006 | Kosar, Özek, et al., 2005 | Vinogradov, 2004 | Özcan, Akgül, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Tabanca, Demirci, et al., 2006
Tabanca, N.; Demirci, B.; Ozek, T.; Kirimer, N.; Can Baser, K.H.; Bedir, E.; Khan, I.A.; Wedge, D.E.,
Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella species gathered from Central and Northern Turkey,
J. Chromatogr. A, 2006, 1117, 2, 194-205, https://doi.org/10.1016/j.chroma.2006.03.075
. [all data]
Kosar, Özek, et al., 2005
Kosar, M.; Özek, T.; Göger, F.; Kürkcüoglu, M.; Hüsnü Can Baser, K.,
Comparison of Microwave-Assisted Hydrodistillation and Hydrodistillation Methods for the Analysis of Volatile Secondary Metabolites,
Pharm. Biol., 2005, 43, 6, 491-495, https://doi.org/10.1080/13880200500220136
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N.,
Essential oil composition of sea fennel (Crithmum maritimum) form Turkey,
Nahrung/Food, 2001, 45, 5, 353-356, https://doi.org/10.1002/1521-3803(20011001)45:5<353::AID-FOOD353>3.0.CO;2-4
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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