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, 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 | ZB-Wax | BP-20 | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB |
| Column length (m) | 30. | 50. | 50. | 50. | 25. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.2 | 0.15 |
| Tstart (C) | 40. | 60. | 32. | 32. | 40. |
| Tend (C) | 250. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 5. | 2. | 1. | 1. | 3. |
| Initial hold (min) | 2. | 1. | 1. | 5. | |
| Final hold (min) | 5. | 20. | |||
| I | 2221. | 2232. | 2202. | 2202. | 2260. |
| Reference | Wu, Zorn, et al., 2007 | Gonny, Bradesi, et al., 2004 | Kjeldsen, Christensen, et al., 2003 | Kjeldsen, Christensen, et al., 2001 | Chagonda, Makanda, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB | DB-Wax |
| Column length (m) | 50. | 50. | 50. | 25. |
| Carrier gas | He | |||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | |||
| Tstart (C) | 60. | 60. | 40. | 50. |
| Tend (C) | 220. | 220. | 220. | 240. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. |
| Initial hold (min) | 5. | 5. | 5. | 3. |
| Final hold (min) | 30. | 30. | 30. | |
| I | 2219. | 2228. | 2228. | 2215. |
| Reference | Chevance and Farmer, 1999 | Chevance and Farmer, 1999, 2 | Chevance and Farmer, 1999, 2 | Möllenbeck, König, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
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]
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]
Kjeldsen, Christensen, et al., 2003
Kjeldsen, F.; Christensen, L.P.; Edelenbos, M.,
Changes in volatile compounds of carrots (Daucus carota L.) during refrigerated and frozen storage,
J. Agric. Food Chem., 2003, 51, 18, 5400-5407, https://doi.org/10.1021/jf030212q
. [all data]
Kjeldsen, Christensen, et al., 2001
Kjeldsen, F.; Christensen, L.P.; Edelenbos, M.,
Quantitative analysis of aroma compounds in carrot (Daucus carota L.) cultivars by capillary gas chromatography using large-volume injection technique,
J. Agric. Food Chem., 2001, 49, 9, 4342-4348, https://doi.org/10.1021/jf010213n
. [all data]
Chagonda, Makanda, et al., 2000
Chagonda, L.S.; Makanda, C.D.; Chalchat, J.-C.,
The essential oils of Ocimum canum Sims (basilic camphor) and Ocimum urticifolia Roth from Zimbabwe,
Flavour Fragr. J., 2000, 15, 1, 23-26, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<23::AID-FFJ866>3.0.CO;2-W
. [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]
Chevance and Farmer, 1999, 2
Chevance, F.F.V.; Farmer, L.J.,
Release of volatile odor compounds from full-fat and reduced-fat frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166
. [all data]
Möllenbeck, König, et al., 1997
Möllenbeck, S.; König, T.; Schreier, P.; Schwab, W.; Rajaonarivony, J.; Ranarivelo, L.,
Chemical composition and analyses of enantiomers of essential oils from Madagascar,
Flavour Fragr. J., 1997, 12, 2, 63-69, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<63::AID-FFJ614>3.0.CO;2-Z
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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