Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-
- Formula: C12H16O3
- Molecular weight: 208.2536
- IUPAC Standard InChI: InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5,7-8H,1,6H2,2-4H3
- IUPAC Standard InChIKey: BPLQKQKXWHCZSS-UHFFFAOYSA-N
- CAS Registry Number: 487-11-6
- 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, 5-allyl-1,2,3-trimethoxy-; Elemicin; 3,4,5-Trimethoxyallylbenzene; 5-Allyl-1,2,3-trimethoxybenzene; 1,2,3-Trimethoxy-5-(2-propenyl)-benzene; 1,2,3-Trimethoxy-5-allylbenzene; 4-Allyl-1,2,6-trimethoxybenzene; Benzene, 5-(2-propenyl)-1,2,3-trimethoxy; Elemicine; 1,2,3-trimethoxy-5-allylbenzene (elemicin)
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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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-5 | HP-5MS | CP Sil 5 CB | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 80. | 50. | 60. |
| Tend (C) | 220. | 250. | 300. | 200. | 260. |
| Heat rate (K/min) | 5. | 5. | 4. | 5. | 3. |
| Initial hold (min) | 10. | 2. | |||
| Final hold (min) | 5. | ||||
| I | 1554. | 1550. | 1559.6 | 1531. | 1556. |
| Reference | Flamini, Tebano, et al., 2007 | Wu, Zorn, et al., 2007 | Zeng, Zhao, et al., 2007 | Andrianoelisoa H.S., Menut C., et al., 2006 | Javidnia, Miri, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | Optima 5 | HP-5 | SE-30 | HP-1 |
| Column length (m) | 50. | 25. | 30. | 25. | 24. |
| Carrier gas | He | N2 | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.17 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 220. | 280. | 220. | 180. | 250. |
| Heat rate (K/min) | 2. | 3. | 5. | 3. | 4. |
| Initial hold (min) | 10. | 10. | 2. | ||
| Final hold (min) | 20. | 20. | 10. | 20. | |
| I | 1518. | 1545. | 1555. | 1527. | 1518. |
| Reference | Gonny, Bradesi, et al., 2004 | Vérité, Nacer, et al., 2004 | Flamini, Cioni, et al., 2002 | bin Jantan, Ayop, et al., 2002 | Nath, Sarma, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | CP Sil 8 CB | Methyl Silicone | BP-1 |
| Column length (m) | 50. | 50. | 50. |
| Carrier gas | N2 | He | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.17 | 0.25 | |
| Tstart (C) | 60. | 80. | 60. |
| Tend (C) | 220. | 200. | 220. |
| Heat rate (K/min) | 4. | 2. | 2. |
| Initial hold (min) | 5. | ||
| Final hold (min) | 30. | 20. | |
| I | 1553. | 1512. | 1521. |
| Reference | Chevance and Farmer, 1999 | Sumathykutty, Rao, et al., 1999 | Tam, An, et al., 1998 |
| 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.
Flamini, Tebano, et al., 2007
Flamini, G.; Tebano, M.; Cioni, P.L.; Ceccarini, L.; Ricci, A.S.; Longo, I.,
Comparison between the conventional method of extraction of essential oil of Laurus nobilis L. and a novel method which uses microwaves applied in situ, without resorting to an oven,
J. Chromatogr. A, 2007, 1143, 1-2, 36-40, https://doi.org/10.1016/j.chroma.2007.01.031
. [all data]
Wu, Zorn, et al., 2007
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G.,
Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica,
Flavour Fragr. J., 2007, 22, 1, 53-60, https://doi.org/10.1002/ffj.1758
. [all data]
Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D.,
Comparative analysis of volatile components from Clematis species growing in China,
Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022
. [all data]
Andrianoelisoa H.S., Menut C., et al., 2006
Andrianoelisoa H.S.; Menut C.; de Chatelperron P.C.; Saracco J.; Ramanoelina P.; Danthu P.,
Intraspecific chemical variability and highlighting of chemotypes of leaf essential oils from Ravensara aromatica Sonnerat a tree endemic to Madagascar,
Flavour Fragr. J., 2006, 21, 5, 833-838, https://doi.org/10.1002/ffj.1735
. [all data]
Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Kamalinejad, M.; Edraki, N.,
Chemical composition of Ferula persica Wild. essential oil from Iran,
Flavour Fragr. J., 2005, 20, 6, 605-606, https://doi.org/10.1002/ffj.1496
. [all data]
Gonny, Bradesi, et al., 2004
Gonny, M.; Bradesi, P.; Casanova, J.,
Identification of the components of the essential oil from wild Corsican Daucus carota L. using 13C-NMR spectroscopy,
Flavour Fragr. J., 2004, 19, 5, 424-433, https://doi.org/10.1002/ffj.1330
. [all data]
Vérité, Nacer, et al., 2004
Vérité, P.; Nacer, A.; Kabouche, Z.; Seguin, E.,
Composition of seeds and stems essential oils of Pituranthos scoparius (Coss. Dur.) Schinz,
Flavour Fragr. J., 2004, 19, 6, 562-564, https://doi.org/10.1002/ffj.1353
. [all data]
Flamini, Cioni, et al., 2002
Flamini, G.; Cioni, P.L.; Morelli, I.,
Differences in the fragrances of pollen and different floral parts of male and female flowers of Laurus nobilis,
J. Agric. Food Chem., 2002, 50, 16, 4647-4652, https://doi.org/10.1021/jf020269x
. [all data]
bin Jantan, Ayop, et al., 2002
bin Jantan, I.; Ayop, N.; Hiong, A.B.; Ahmad, A.S.,
Chemical composition of the essential oils of Cinnamomum cordatum Kosterm,
Flavour Fragr. J., 2002, 17, 3, 212-214, https://doi.org/10.1002/ffj.1075
. [all data]
Nath, Sarma, et al., 2002
Nath, S.C.; Sarma, K.K.; Vajezikova, I.; Leclercq, P.A.,
Comparison of volatile inflorescence oils and taxonomy of certain Cymbopogon taxa described as Cymbopogon flexuosus (Nees ex Steud.) Wats.,
Biochem. Syst. Ecol., 2002, 30, 2, 151-162, https://doi.org/10.1016/S0305-1978(01)00066-7
. [all data]
Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J.,
Identification of major volatile odor compounds in frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d
. [all data]
Sumathykutty, Rao, et al., 1999
Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S.,
Essential oil constituents of some Piper species,
Flavour Fragr. J., 1999, 14, 5, 279-282, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<279::AID-FFJ821>3.0.CO;2-0
. [all data]
Tam, An, et al., 1998
Tam, N.T.; An, H.L.; Muselli, a.; Bighelli, A.; Casanova, J.,
Essential oil of an unidentified Illicium species from Ninh Binh Province, Vietnam,
Flavour Fragr. J., 1998, 13, 6, 393-396, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<393::AID-FFJ764>3.0.CO;2-R
. [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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