Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1α,2β,4β)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: OPFTUNCRGUEPRZ-QLFBSQMISA-N
- CAS Registry Number: 515-13-9
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2R,4R)- (-)-; β-Elemene, (-)-; (-)-β-Elemene; β-Elemen; levo-β-Elemene; β-Elemene; β-Elemene enantiomer; 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane, [1S-(1α,2β,4β)]-; 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane; 1S-1α,2β,4β-1-Ethenyl-1-methyl-2,4-bis-(1-methylethenyl)cyclohexane; Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1S,2S,4R)-; beta elemene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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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 | BP-20 | BP-20 | BP-20 | RTX-Wax | RTX-Wax |
Column length (m) | 50. | 50. | 50. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.22 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 220. | 220. | 220. | 230. | 230. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 2. |
Initial hold (min) | |||||
Final hold (min) | 20. | 20. | 20. | 30. | 35. |
I | 1589. | 1582. | 1583. | 1563. | 1589. |
Reference | Boti, Koukoua, et al., 2007 | Duquesnoy, Castola, et al., 2007 | Lesueur, de Rocca Serra, et al., 2007 | Muselli, Rossi, et al., 2007 | Paolini J., Costa J., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | BP-20 | BP-20 | HP-Wax | BP-20 |
Column length (m) | 30. | 50. | 50. | 30. | 50. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.22 | 0.25 | 0.22 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 260. | 220. | 220. | 220. | 220. |
Heat rate (K/min) | 3. | 2. | 2. | 5. | 2. |
Initial hold (min) | 10. | ||||
Final hold (min) | 20. | 20. | 20. | ||
I | 1585. | 1588. | 1592. | 1593. | 1586. |
Reference | Saroglou, Marin, et al., 2007 | Boti, Bighelli, et al., 2006 | Duquesnoy, Dinh, et al., 2006 | Flamini, Tebano, et al., 2006 | Gonny, Cavaleiro, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M | Supelcowax-10 | BP-20 | DB-Wax | DB-Wax |
Column length (m) | 25. | 30. | 50. | 60. | 30. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.22 | 0.25 | 0.25 |
Phase thickness (μm) | 0.3 | 0.2 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 70. | 60. | 70. | 40. |
Tend (C) | 220. | 220. | 220. | 230. | 250. |
Heat rate (K/min) | 3. | 3. | 2. | 2. | 3. |
Initial hold (min) | 1. | 2. | |||
Final hold (min) | 5. | 15. | 20. | 20. | 20. |
I | 1584. | 1585. | 1590. | 1595. | 1573. |
Reference | Rubiolo P., Matteodo M., et al., 2006 | Salgueiro L.R., Pinto E., et al., 2006 | Boti J.B., Koukoua G., et al., 2005 | Choi, 2005 | Fanciullino, Gancel, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Innowax | RTX-Wax | Supelcowax-10 | BP-20 |
Column length (m) | 30. | 50. | 60. | 60. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.2 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Tstart (C) | 40. | 50. | 60. | 60. | 60. |
Tend (C) | 250. | 220. | 230. | 200. | 230. |
Heat rate (K/min) | 3. | 2. | 2. | 2. | 2. |
Initial hold (min) | 3. | ||||
Final hold (min) | 20. | 20. | 35. | 10. | 35. |
I | 1575. | 1579. | 1589. | 1562. | 1589. |
Reference | Gancel, Ollitrault, et al., 2005 | Lee, Lee, et al., 2005 | Paolini, Costa, et al., 2005 | Smadja, Rondeau, et al., 2005 | Vellutini, Baldovini, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | HP-Wax | DB-Wax | Supelcowax-10 | HP-Wax |
Column length (m) | 30. | 30. | 60. | 30. | 30. |
Carrier gas | N2 | N2 | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.2 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Tstart (C) | 60. | 60. | 32. | 70. | 60. |
Tend (C) | 220. | 220. | 220. | 220. | 240. |
Heat rate (K/min) | 5. | 5. | 3. | 3. | 3. |
Initial hold (min) | 10. | 10. | |||
Final hold (min) | 15. | ||||
I | 1590. | 1593. | 1589. | 1584. | 1588. |
Reference | Bertoli, Menichini, et al., 2004 | Bertoli, Pistelli, et al., 2004 | Brophy, Goldsack, et al., 2004 | Cavaleiro, Salgueiro, et al., 2004 | Flamini, Cioni, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Wax | HP-Wax | HP-Innowax | BP-20 | HP-Wax |
Column length (m) | 30. | 30. | 30. | 50. | 30. |
Carrier gas | N2 | N2 | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 240. | 220. | 260. | 220. | 220. |
Heat rate (K/min) | 3. | 5. | 3. | 2. | 5. |
Initial hold (min) | 10. | 10. | |||
Final hold (min) | 20. | ||||
I | 1588. | 1598. | 1598. | 1580. | 1598. |
Reference | Flamini, Cioni, et al., 2004 | Flamini, Luigi Cioni, et al., 2004 | Grujic-Jovanovic, Skaltsa, et al., 2004 | Tam, Thuam, et al., 2004 | Bader, Caponi, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Wax | RTX-Wax | DB-Wax | DB-Wax | HP-20M |
Column length (m) | 30. | 60. | 60. | 60. | 50. |
Carrier gas | N2 | He | N2 | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.32 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Tstart (C) | 60. | 60. | 70. | 40. | 70. |
Tend (C) | 220. | 230. | 230. | 245. | 180. |
Heat rate (K/min) | 5. | 2. | 2. | 1.5 | 4. |
Initial hold (min) | 10. | 2. | 4. | ||
Final hold (min) | 45. | 20. | 20. | 10. | |
I | 1594. | 1585. | 1595. | 1575. | 1575. |
Reference | Bader, Caponi, et al., 2003, 2 | Cavalli, Tomi, et al., 2003 | Choi, 2003 | Gancel, Ollitrault, et al., 2003 | Jerkovic, Mastelic, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | DB-Wax | BP-20 | RTX-Wax | AT-Wax |
Column length (m) | 30. | 60. | 50. | 30. | 60. |
Carrier gas | He | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 70. | 60. | 45. | 65. |
Tend (C) | 260. | 230. | 220. | 250. | 250. |
Heat rate (K/min) | 3. | 2. | 2. | 3. | 2. |
Initial hold (min) | 6. | 10. | |||
Final hold (min) | 20. | 20. | 10. | 60. | |
I | 1585. | 1598. | 1586. | 1560. | 1573. |
Reference | Skaltsa, Demetzos, et al., 2003 | Choi, Kim. M.-S.L., et al., 2002 | Lota, de Rocca Serra, et al., 2002 | Mondello, Zappia, et al., 2002 | Pino, Marbot, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | CP-Wax 52CB |
Column length (m) | 60. | 60. | 60. | 60. | 25. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.5 | 0.50 | 0.53 | 0.53 | 0.25 |
Phase thickness (μm) | 0.32 | 1.0 | 1.0 | 1.0 | 0.15 |
Tstart (C) | 40. | 60. | 50. | 50. | 40. |
Tend (C) | 290. | 225. | 220. | 220. | 220. |
Heat rate (K/min) | 4. | 3. | 3. | 3. | 3. |
Initial hold (min) | 2. | 5. | |||
Final hold (min) | 5. | ||||
I | 1594. | 1585. | 1585. | 1585. | 1596. |
Reference | Bartley and Jacobs, 2000 | Brophy, Goldsack, et al., 2000 | Brophy, Goldsack, et al., 2000, 2 | Brophy, Goldsack, et al., 2000, 3 | Chagonda, Makanda, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | BP-20 | BP-20 | Megawax | DB-Wax |
Column length (m) | 60. | 50. | 50. | 30. | 60. |
Carrier gas | N2 | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.22 | 0.25 | 0.53 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 70. | 60. | 60. | 40. | 50. |
Tend (C) | 230. | 230. | 230. | 220. | 220. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 3. |
Initial hold (min) | 2. | 6. | |||
Final hold (min) | 20. | 35. | 35. | 10. | |
I | 1596. | 1586. | 1586. | 1559. | 1585. |
Reference | Choi and Sawamura, 2000 | Lota, de Rocca Serra, et al., 2000 | Lota, de Rocca Serra, et al., 2000 | Verzera, Trozzi, et al., 2000 | Brophy, Goldsack, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax | Carbowax 20M | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 60. | 25. | 60. | 60. | 25. |
Carrier gas | He | H2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.3 | 0.3 | ||
Tstart (C) | 50. | 50. | 65. | 35. | 50. |
Tend (C) | 180. | 200. | 225. | 220. | 200. |
Heat rate (K/min) | 2.5 | 3. | 3. | 3. | 3. |
Initial hold (min) | 5. | 1. | 1. | ||
Final hold (min) | 20. | 20. | |||
I | 1591. | 1584. | 1585. | 1585. | 1584. |
Reference | Stashenko, Cervantes, et al., 1999 | Bicchi, Rubiolo, et al., 1998 | Brophy, Goldsack, et al., 1998 | Brophy, Goldsack, et al., 1998, 2 | Bicchi, Fresia, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | SP-1000 | DB-Wax | Supelcowax-10 | Carbowax 20M |
Column length (m) | 60. | 85. | 60. | 60. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.5 | 0.32 | 0.25 | 0.2 |
Phase thickness (μm) | 0.5 | 0.25 | 0.2 | ||
Tstart (C) | 65. | 65. | 50. | 60. | 30. |
Tend (C) | 225. | 225. | 225. | 230. | 170. |
Heat rate (K/min) | 3. | 3. | 2. | 5. | 4. |
Initial hold (min) | 5. | 2. | |||
Final hold (min) | 20. | 20. | 20. | ||
I | 1585. | 1585. | 1602. | 1605. | 1562. |
Reference | Brophy, Goldsack, et al., 1997 | Brophy, Goldsack, et al., 1997, 2 | Sagrero-Nieves, Bartley, et al., 1997 | Granicher, Christen, et al., 1995 | Píry, Príbela, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 60. | 60. | 60. |
Carrier gas | He | He | |
Substrate | |||
Column diameter (mm) | 0.20 | 0.25 | 0.32 |
Phase thickness (μm) | 0.20 | 0.25 | |
Tstart (C) | 70. | 50. | 50. |
Tend (C) | 180. | 230. | 225. |
Heat rate (K/min) | 2. | 2. | 1.5 |
Initial hold (min) | 5. | 4. | |
Final hold (min) | 30. | 80. | |
I | 1600. | 1583. | 1565. |
Reference | Stashenko, Wiame, et al., 1995 | Shiratsuchi, Shimoda, et al., 1993 | Chen and Ho, 1988 |
Comment | 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.
Boti, Koukoua, et al., 2007
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Chemical variability of Conyza sumatrensis and Microglossa pyrifolia from Côte d'Ivoire,
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Duquesnoy, Castola, et al., 2007
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Composition and chemical variability of the twig oil of Abies alba Miller from Corsica,
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Lesueur, de Rocca Serra, et al., 2007
Lesueur, D.; de Rocca Serra, D.; Bighelli, A.; Hoi, T.M.; Ban, N.K.; Thai, T.H.; Casanova, J.,
Chemical composition and antibacterial activity of the essential oil of Michelia foveolata Merryll ex Dandy from Vietnam,
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Flamini, Luigi Cioni, et al., 2004
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Essential oils of Galeopsis pubescens and G. tetrahit from Tuscany (Italy),
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Composition and antibacterial activity of the essential oil of six Stachys species from Serbia,
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Composition of the essential oil of Ballota undulata, B. nigra ssp. foetida and B. saxatilis,
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Acorenone in the essential oil of flowering aerial parts of Seseli tortuosum L.,
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Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar,
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Character impact odorants of Citrus Hallabong [(C. unshiu Marcov × C. sinensis Osbeck) × C. reticulata Blanco] cold-pressed peel oil,
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Leaf volatile compounds of seven citrus somatic tetraploid hybrids sharing willow leaf mandarin (Citrus deliciosa Ten.) as their common parent,
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Chemical variability of Artemisia vulgaris L. essential oils originated from the Mediterranean area of France and Croatia,
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Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type,
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Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
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Bartley and Jacobs, 2000
Bartley, J.P.; Jacobs, A.L.,
Effects of drying on flavour compounds in Australian-grown ginger (Zingiber officinale),
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Brophy, Goldsack, et al., 2000, 2
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Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 6. Leptospermum polygalifolium and allies,
Flavour Fragr. J., 2000, 15, 4, 271-277, https://doi.org/10.1002/1099-1026(200007/08)15:4<271::AID-FFJ910>3.0.CO;2-E
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Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 7. Leptospermum petersonii, L. liversidgei and allies,
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The essential oils of Ocimum canum Sims (basilic camphor) and Ocimum urticifolia Roth from Zimbabwe,
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Choi and Sawamura, 2000
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Composition of the essential oil of Citrus tamurana Hort. ex Tanaka (Hyuganatsu),
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Uruguayan essential oil. 12. Composition of Nova and Satsuma mandarin oils,
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Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 5. Leptospermum continentale and allies,
Flavour Fragr. J., 1999, 14, 2, 98-104, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<98::AID-FFJ797>3.0.CO;2-V
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HRGC/FID and HRGC/MSD analysis of the secondary metabolites obtained by different extraction methods from Lepechinia schiedeana, an in vitro evaluation of its antioxidant activity,
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Flavour Fragr. J., 1998, 13, 1, 40-46, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<40::AID-FFJ688>3.0.CO;2-Z
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Leaf essential oils of the genus Leptospermum (Myrtaceae) in Eastern Australia. Part 1. Leptospermum brachyandrum and Leptospermum pallidum groups,
Flavour Fragr. J., 1998, 13, 1, 19-25, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<19::AID-FFJ679>3.0.CO;2-9
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Brophy, J.J.; Goldsack, R.J.; Bean, A.R.; Forster, P.I.; Lepschi, B.J.,
Leaf essential oils of the genus Leptospermum (Myrtaceae) in eastern Australia. Part 2. Leptospermum blakelyi and allies,
Flavour Fragr. J., 1998, 13, 5, 353-358, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<353::AID-FFJ759>3.0.CO;2-1
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Constituents of Tagetes lucida Cav. ssp. lucida essential oil,
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The leaf essential oils of the Australian species of Rhodamnia (Myrtaceae),
Flavour Fragr. J., 1997, 12, 5, 345-354, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<345::AID-FFJ658>3.0.CO;2-6
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Flavour Fragr. J., 1997, 12, 6, 401-403, https://doi.org/10.1002/(SICI)1099-1026(199711/12)12:6<401::AID-FFJ673>3.0.CO;2-D
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Granicher, F.; Christen, P.; Kapetanidis, I.,
Essential oils from normal and hairy roots of valeriana officinalis var. sambucifolia,
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Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods,
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Stashenko, Wiame, et al., 1995
Stashenko, E.; Wiame, H.; Dassy, S.; Martinez, J.R.; Shibamoto, T.,
Catalytic transformation of copaiba (Copaifera officinalis) oil over zeolite ZSM-5,
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Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1,
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Chen and Ho, 1988
Chen, C.-C.; Ho, C.-T.,
Gas chromatographic analysis of volatile components of ginger oil (Zingiber officinale Roscoe) extracted with liquid carbon dioxide,
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Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
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