1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)-
- Formula: C12H14O4
- Molecular weight: 222.2372
- 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | Optima-5 | DB-5 | HP-5 | HP-5MS | BPX-5 |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | Helium | Nitrogen | Helium | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.32 | 0.25 | 1. |
Tstart (C) | 60. | 40. | 60. | 60. | 50. |
Tend (C) | 246. | 250. | 250. | 250. | 300. |
Heat rate (K/min) | 3. | 3. | 5. | 2. | 4. |
Initial hold (min) | 1. | 1. | 30. | 8. | 1. |
Final hold (min) | 10. | 15. | 10. | ||
I | 1625. | 1620. | 1620. | 1622. | 1662. |
Reference | Al-Qudah, Muhaidat, et al., 2012 | Rahimi-Nasrabadi, Gholivand, et al., 2009 | Yassa and Akhani, 2008 | Ferhat, Meklati, et al., 2007 | Rali, Wossa, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | HP-5 | DB-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | N2 | N2 | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 50. | 50. | 60. | 40. |
Tend (C) | 250. | 280. | 280. | 260. | 240. |
Heat rate (K/min) | 5. | 9. | 9. | 3. | 4. |
Initial hold (min) | 30. | 3. | 3. | ||
Final hold (min) | 3. | 3. | 5. | ||
I | 1620. | 1586. | 1608. | 1625. | 1611. |
Reference | Yassa and Akhani, 2007 | Abdelwahed, Hayder, et al., 2006 | Abdelwahed, Hayder, et al., 2006 | Javidnia, Miri, et al., 2006 | Miyazawa and Kawata, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | HP-5MS | DB-5 | HP-5MS | Methyl Silicone |
Column length (m) | 30. | 30. | 30. | 30. | 60. |
Carrier gas | N2 | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 40. | 60. | 60. |
Tend (C) | 250. | 250. | 240. | 280. | 200. |
Heat rate (K/min) | 5. | 5. | 4. | 3. | 4. |
Initial hold (min) | 3. | 5. | 1. | ||
Final hold (min) | 10. | 20. | |||
I | 1603. | 1634. | 1620. | 1625. | 1620. |
Reference | Jassbi, Mehrdad, et al., 2005 | Pourmortazavi, Ghadiri, et al., 2005 | Sefidkon and Jamzad, 2005 | Setzer, Noletto, et al., 2005 | Rojas, Usubillaga, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | RSL-200 | DB-5MS | DB-1 | HP-5 |
Column length (m) | 30. | 30. | 30. | 50. | 30. |
Carrier gas | Helium | H2 | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Tstart (C) | 60. | 40. | 60. | 90. | 60. |
Tend (C) | 200. | 280. | 240. | 240. | 250. |
Heat rate (K/min) | 4. | 6. | 3. | 4. | 5. |
Initial hold (min) | 1. | 2. | 30. | ||
Final hold (min) | 20. | 10. | |||
I | 1620. | 1602. | 1624. | 1582. | 1628. |
Reference | Royas, Usubillaga, et al., 2004 | Jirovetz, Buchbauer, et al., 2003 | Maia, Taveira, et al., 2003 | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | Yassa, Akhani, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | RSL-200 | DB-5 | DB-5MS | DB-1 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | H2 | He | He | 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. | 60. | 60. | 40. |
Tend (C) | 240. | 280. | 240. | 270. | 260. |
Heat rate (K/min) | 3. | 6. | 3. | 3. | 2. |
Initial hold (min) | 5. | 5. | |||
Final hold (min) | 5. | 2. | |||
I | 1620. | 1608. | 1625. | 1622. | 1597. |
Reference | Zoghbi, Andrade, et al., 2003 | Jirovetz, Buchbauer, et al., 2002 | Maia, da Silva, et al., 2002 | Zoghbi, Andrade, et al., 2002 | Senatore, Napolitano, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | OV-101 | DB-5MS | DB-5 |
Column length (m) | 50. | 30. | 30. |
Carrier gas | He | He | He |
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 60. | 60. |
Tend (C) | 220. | 240. | 240. |
Heat rate (K/min) | 2. | 3. | 3. |
Initial hold (min) | 5. | ||
Final hold (min) | |||
I | 1595. | 1624. | 1628. |
Reference | Pateira, Nogueira, et al., 1999 | Zoghbi, Andrade, et al., 1999 | Maia, Zohhbi, et al., 1998 |
Comment | MSDC-RI | 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.
Al-Qudah, Muhaidat, et al., 2012
Al-Qudah, M.A.; Muhaidat, R.; Trawenh, I.N.; Jaber, H.I.; Abu Zarga, M.H.; Abu Orabi, S.T.,
Volatile constituents of leaves and bulbs of Gynandriris Sisyrinchicum and their antimicrobial activities,
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Rahimi-Nasrabadi, Gholivand, et al., 2009
Rahimi-Nasrabadi, M.; Gholivand, M.B.; Batooli, H.; Vatanara, A.,
Chemical composition of the essential oil from leaves and flowering aerial parts of Psammogeton canscens (DC). Vake from Iran,
J. Medicinal Plants, 2009, 8, 31, 82-86. [all data]
Yassa and Akhani, 2008
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2008, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Ferhat, Meklati, et al., 2007
Ferhat, M.A.; Meklati, B.Y.; Chemat, F.,
Comparison of different isolation methods of essential oil from Citrus fruits: cold pressing, hydrodistillation and microwave dry distillation,
Flavour Fragr. J., 2007, 22, 6, 494-504, https://doi.org/10.1002/ffj.1829
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Rali, Wossa, et al., 2007
Rali, T.; Wossa, S.W.; Leach, D.N.; Waterman, P.G.,
Volatile chemical constituents of Piper aduncum L and Piper gibbilimbum C. DC (Piperaceae) from Papua New Guinea,
Molecules, 2007, 12, 3, 389-394, https://doi.org/10.3390/12030389
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Yassa and Akhani, 2007
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2007, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Abdelwahed, Hayder, et al., 2006
Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K.,
Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire,
Flavour Fragr. J., 2006, 21, 1, 129-133, https://doi.org/10.1002/ffj.1542
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Javidnia, Miri, et al., 2006
Javidnia, K.; Miri, R.; Kamalinejad, M.; Mehdipour, A.R.,
Composition of the essential oil of Diplotaenia cachrydifolia Boiss. from Iran,
J. Ess. Oil Res., 2006, 18, 1, 86-87, https://doi.org/10.1080/10412905.2006.9699393
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Miyazawa and Kawata, 2006
Miyazawa, M.; Kawata, J.,
Identification of the Key Aroma Compounds in Dried Roots of Rubia cordifolia,
L. Oleo Sci., 2006, 55, 1, 37-39, https://doi.org/10.5650/jos.55.37
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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,
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Pourmortazavi, Ghadiri, et al., 2005
Pourmortazavi, S.M.; Ghadiri, M.; Hajimirsadeghi, S.S.,
Supercritical fluid extraction of volatile components from Bunium persicum Boiss. (black cumin) and Mespilus germanica L. (medlar) seeds,
J. Food Comp. Anal., 2005, 18, 5, 439-446, https://doi.org/10.1016/j.jfca.2004.01.003
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Sefidkon and Jamzad, 2005
Sefidkon, F.; Jamzad, Z.,
Chemical composition of the essential oil of three Iranian Satureja species (S. mutica, S. macrantha and S. intermedia),
Food Chem., 2005, 91, 1, 1-4, https://doi.org/10.1016/j.foodchem.2004.01.027
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Setzer, Noletto, et al., 2005
Setzer, W.N.; Noletto, J.A.; Lawton, R.O.; Haber, W.A.,
Leaf essential oil composition of five Zanthoxylum species from Monteverde, Costa Rica,
Molecular Diversity, 2005, 9, 1-3, 3-13, https://doi.org/10.1007/s11030-005-1298-6
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Rojas, Usubillaga, et al., 2004
Rojas, L.B.; Usubillaga, A.; Cegarra, J.A.; Borregales, E.; Carrero, Y.,
Composición Química y actividad antimicótica de el aceite Esenchial ede la Lepechinia schiedeane (Schlecht) vatke,
Rev. Fac. Farm., 2004, 46, 1, 27-30. [all data]
Royas, Usubillaga, et al., 2004
Royas, L.B.; Usubillaga, A.; Cegarra, J.A.; Borreagales, E.; Carrero, S.,
Composicion Quimica y Actividad Antimicotica de el Aceite Esensial de la Lepechinia schiedeana (Schlecht) Vatke,
Revista de la Facultad de Farmacia, 2004, 46, 1, 27-30. [all data]
Jirovetz, Buchbauer, et al., 2003
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.S.; Georgiev, E.V.; Damianova, S.T.,
Composition, quality control, and antimicrobial activity of the essential oil of long-time stored dill (Anethum graveolens L.) seeds from Bulgaria,
J. Agric. Food Chem., 2003, 51, 13, 3854-3857, https://doi.org/10.1021/jf030004y
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Maia, Taveira, et al., 2003
Maia, J.G.S.; Taveira, F.S.N.; Andrade, E.H.A.; da Silva, M.H.L.; Zoghbi, M.G.B.,
Essential oils of Lippia grandis Schau.,
Flavour Fragr. J., 2003, 18, 5, 417-420, https://doi.org/10.1002/ffj.1241
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Velasco-Negueruela, Pérez-Alonso, et al., 2003
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Rutheopsis herbanica (Bolle) Hans. Kunk., gathered in Fuerteventura (Canary Islands),
J. Chromatogr. A, 2003, 984, 1, 159-162, https://doi.org/10.1016/S0021-9673(02)01742-9
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Yassa, Akhani, et al., 2003
Yassa, N.; Akhani, H.; Aqaahmadi, M.; Salimian, M.,
Essential oils from two endemic species of Apiaceae from Iran,
Z. Naturforsch. C:, 2003, 58, 459-463. [all data]
Zoghbi, Andrade, et al., 2003
Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.; Carreira, L.M.M.; Maia, J.G.S.,
Essential oils from three Myrcia species,
Flavour Fragr. J., 2003, 18, 5, 421-424, https://doi.org/10.1002/ffj.1242
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Jirovetz, Buchbauer, et al., 2002
Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Geissler, M.,
Aroma compound analysis of Piper nigrum and Piper guineense essential oils from Cameroon using solid-phase microextraction-gas chromatography, solid-phase microextraction-gas chromatography-mass spectrometry and olfactometry,
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Maia, da Silva, et al., 2002
Maia, J.G.S.; da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Carreira, L.M.M.,
Essential oils from Astronium urundeuva (Allemao) Engl. and A. fraxinifolium Schott ex Spreng.,
Flavour Fragr. J., 2002, 17, 1, 72-74, https://doi.org/10.1002/ffj.1046
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Zoghbi, Andrade, et al., 2002
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S.,
Volatile constituents from Adenocalymma alliaceum Miers and Petiveria alliacea L., two medicinal herbs of the Amazon,
Flavour Fragr. J., 2002, 17, 2, 133-135, https://doi.org/10.1002/ffj.1051
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Senatore, Napolitano, et al., 2000
Senatore, F.; Napolitano, F.; Ozcan, M.,
Composition and antibacterial activity of the essential oil from Crithmum maritimum L. (Apiaceae) growing wild in Turkey,
Flavour Fragr. J., 2000, 15, 3, 186-189, https://doi.org/10.1002/1099-1026(200005/06)15:3<186::AID-FFJ889>3.0.CO;2-I
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Pateira, Nogueira, et al., 1999
Pateira, L.; Nogueira, T.; Antunes, A.; Venancio, F.; Tavares, R.; Capelo, J.,
Two chemotypes of Crithmum maritimum L. from Portugal,
Flavour Fragr. J., 1999, 14, 5, 333-343, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<333::AID-FFJ839>3.0.CO;2-V
. [all data]
Zoghbi, Andrade, et al., 1999
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S.,
Volatile constituents from leaves and flowers of Alpinia speciosa K. Schum. and A. purpurata (Viell.) Schum.,
Flavour Fragr. J., 1999, 14, 6, 411-414, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<411::AID-FFJ854>3.0.CO;2-U
. [all data]
Maia, Zohhbi, et al., 1998
Maia, J.G.S.; Zohhbi, M.G.B.; Andrade, E.H.A.; Santos, A.S.; da Silva, M.H.L.; Luz, A.I.R.; Bastos, C.N.,
Constituents of the essential oil of Piper aduncum L. growing wild in the Amazon region,
Flavour Fragr. J., 1998, 13, 4, 269-272, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<269::AID-FFJ744>3.0.CO;2-A
. [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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