Aromadendrene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10?,11-,12+,13+,14+/m0/s1
- IUPAC Standard InChIKey: ITYNGVSTWVVPIC-ZPJPVDRXSA-N
- CAS Registry Number: 109119-91-7
- 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. - Stereoisomers:
- Other names: Aromadendren
- 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, 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-Innowax | RTX-Wax | DB-Wax | HP-Innowax | DB-Wax |
| Column length (m) | 60. | 60. | 60. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Nitrogen | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 30. | 50. | 60. |
| Tend (C) | 220. | 230. | 200. | 280. | 250. |
| Heat rate (K/min) | 5. | 2. | 2. | 5. | 10. |
| Initial hold (min) | 1. | 4. | 1. | 2. | |
| Final hold (min) | 5. | 30. | 30. | 1. | 10. |
| I | 1611. | 1597. | 1606. | 1604. | 1660. |
| Reference | Feng, Cui, et al., 2011 | Museli, Pau, et al., 2009 | Beck, Higbee, et al., 2008 | Bousaada, Ammar, et al., 2008 | Guo, Wu, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-Wax | Carbowax | CP-Wax 52CB | TC-FFAP | Carbowax 20M |
| Column length (m) | 60. | 60. | 30. | 30. | |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.2 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 60. | 60. |
| Tend (C) | 230. | 250. | 220. | 220. | 230. |
| Heat rate (K/min) | 2. | 2. | 3. | 3. | 3. |
| Initial hold (min) | 8. | 1. | |||
| Final hold (min) | 35. | 15. | 2. | 30. | |
| I | 1599. | 1583. | 1622. | 1605. | 1580. |
| Reference | Paolini, Tomi, et al., 2008 | Ferhat, Tigrine-Kordjani, et al., 2007 | Hymete, Rohloff, et al., 2007 | Kurose, Okamura, et al., 2007 | Limberger, Scopel, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | Innowax | Innowax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | N2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 50. | 40. | 50. | 50. |
| Tend (C) | 220. | 250. | 250. | 280. | 280. |
| Heat rate (K/min) | 3. | 2. | 2. | 9. | 9. |
| Initial hold (min) | 3. | 3. | |||
| Final hold (min) | 15. | 33. | 3. | 3. | |
| I | 1602. | 1590. | 1596. | 1640. | 1653. |
| Reference | Pinto, Salgueiro, et al., 2007 | Raal, Orav, et al., 2007 | Sylvestre, Pichette, et al., 2007 | Abdelwahed, Hayder, et al., 2006 | Abdelwahed, Hayder, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | AT-Wax | BP-20 | Supelcowax-10 | DB-Wax | FFAP |
| Column length (m) | 60. | 50. | 30. | 30. | 20. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 50. | 90. |
| Tend (C) | 200. | 220. | 210. | 250. | 250. |
| Heat rate (K/min) | 4. | 2. | 2. | 3. | 6. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 20. | 20. | 33. | 10. | |
| I | 1652. | 1611. | 1596. | 1612. | 1610. |
| Reference | Borges, Rojas, et al., 2006 | Boti, Yao, et al., 2006 | Garneau F.X., Collin G., et al., 2006 | Havlik, Kokoska, et al., 2006 | Kitchlu, Bakshi, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-20M | Stabilwax | HP-20M | DB-Wax | DB-Wax |
| Column length (m) | 50. | 30. | 50. | 60. | 60. |
| Carrier gas | Helium | H2 | Helium | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.32 | 0.20 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.20 | 0.5 | 0.20 | 0.25 | |
| Tstart (C) | 70. | 40. | 70. | 70. | 60. |
| Tend (C) | 250. | 280. | 180. | 230. | 220. |
| Heat rate (K/min) | 4. | 6. | 4. | 2. | 2. |
| Initial hold (min) | 4. | 5. | 4. | 2. | 4. |
| Final hold (min) | 10. | 5. | 10. | 20. | |
| I | 1583. | 1587. | 1583. | 1633. | 1610. |
| Reference | Bezic, Skocibusic, et al., 2005 | Jirovetz, Buchbauer, et al., 2005 | Kulisic, Radonic, et al., 2005 | Njoroge, Koaze, et al., 2005 | Jiang and Kubota, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Innowax FSC | BP-20 | HP-20M | HP-Innowax |
| Column length (m) | 30. | 60. | 25. | 50. | 50. |
| Carrier gas | He | Helium | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.33 | 0.2 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.5 | 0.2 | 0.2 | |
| Tstart (C) | 60. | 60. | 80. | 70. | 50. |
| Tend (C) | 250. | 220. | 220. | 180. | 220. |
| Heat rate (K/min) | 3. | 4. | 5. | 4. | 4. |
| Initial hold (min) | 10. | 4. | 5. | ||
| Final hold (min) | 10. | ||||
| I | 1585. | 1628. | 1620. | 1585. | 1648. |
| Reference | Lago, de Ávila, et al., 2004 | Lourens, Reddy, et al., 2004 | Dunlop, Bignell, et al., 2003 | Mastelic and Jerkovic, 2003 | Stashenko, Jaramillo, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | Stabilwax | Carbowax 20M | BP-20 | DB-Wax |
| Column length (m) | 60. | 30. | 50. | 25. | 60. |
| Carrier gas | He | H2 | He | Nitrogen | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.22 | 0.50 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 45. | 60. | 60. | 60. | 40. |
| Tend (C) | 240. | 280. | 220. | 200. | 200. |
| Heat rate (K/min) | 3. | 10. | 2. | 5. | 2. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | 5. | ||||
| I | 1608. | 1649. | 1620. | 1654. | 1610. |
| Reference | Christoph, 2001 | Jirovetz L., Buchbauer G., et al., 2001 | Vernin, Lageot, et al., 2001 | Mallavarapu, Rao, et al., 2000 | Umano, Hagi, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | Innowax | HP-Innowax | HP-Innowax | DB-Wax |
| Column length (m) | 25. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 80. | 60. | 60. | 60. | 60. |
| Tend (C) | 220. | 220. | 220. | 220. | 240. |
| Heat rate (K/min) | 5. | 4. | |||
| Initial hold (min) | 10. | 10. | 10. | ||
| Final hold (min) | |||||
| I | 1620. | 1628. | 1658. | 1658. | 1659. |
| Reference | Dunlop, Bignell, et al., 1999 | Kaya, Baser, et al., 1999 | Kaya, Baser, et al., 1999, 2 | Kaya, Baser, et al., 1999, 2 | Ngassoum, Yonkeu, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | HP-Innowax | BP-20 | BP-20 | BP-20 |
| Column length (m) | 25. | 60. | 25. | 25. | 25. |
| Carrier gas | H2 | He | H2 | H2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.33 | 0.25 | 0.33 | 0.33 | 0.33 |
| Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.5 | 0.5 |
| Tstart (C) | 80. | 50. | 80. | 80. | 80. |
| Tend (C) | 220. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 5. | 5. | 5. | 5. | 5. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | |||||
| I | 1620. | 1662. | 1620. | 1620. | 1620. |
| Reference | Bignell, Dunlop, et al., 1998 | Stashenko, Cervantes, et al., 1998 | Bignell, Dunlop, et al., 1997 | Bignell, Dunlop, et al., 1997, 2 | Bignell, Dunlop, et al., 1997, 3 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-20 | BP-20 | BP-20 | SP-1000 | DB-Wax |
| Column length (m) | 25. | 25. | 25. | 85. | 60. |
| Carrier gas | H2 | H2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.33 | 0.33 | 0.33 | 0.50 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 0.5 | |
| Tstart (C) | 80. | 80. | 80. | 65. | 50. |
| Tend (C) | 220. | 220. | 220. | 225. | 225. |
| Heat rate (K/min) | 5. | 5. | 5. | 3. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1620. | 1620. | 1620. | 1610. | 1630. |
| Reference | Bignell, Dunlop, et al., 1997, 4 | Bignell, Dunlop, et al., 1997, 5 | Bignell, Dunlop, et al., 1997, 6 | Brophy, Goldsack, et al., 1996 | Sagrero-Nieves, Bartley, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | FFAP | Supelcowax-10 | Supelcowax-10 |
| Column length (m) | 50. | 30. | 30. |
| Carrier gas | He | ||
| Substrate | |||
| Column diameter (mm) | |||
| Phase thickness (μm) | |||
| Tstart (C) | 50. | 50. | 50. |
| Tend (C) | 180. | 240. | 240. |
| Heat rate (K/min) | 10. | 4. | 4. |
| Initial hold (min) | 1. | 2. | 2. |
| Final hold (min) | 10. | 10. | |
| I | 1623. | 1654. | 1654. |
| Reference | Brophy, Davies, et al., 1989 | Ramaswami, Briscese, et al., 1988 | Ramaswami, Briscese, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Feng, Cui, et al., 2011
Feng, T.; Cui, J.-J.; Xiao, Z.-B.; Tian, H.-X.; Yi, F.-P.; Ma, X.,
Chemical composition od essential oil from the peel of Chinese Torreya grandis Frt,
Org. Chem. International, 2011, 2011, 1-5, https://doi.org/10.1155/2011/187372
. [all data]
Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J.,
Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia,
Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1
. [all data]
Beck, Higbee, et al., 2008
Beck, J.J.; Higbee, B.S.; Marrill, G.B.; Roitman, J.N.,
Comparison of volatile emissions from undamaged and mechanically damaged almonds,
J, Sci. Food Argic., 2008, 88, 8, 1363-1368, https://doi.org/10.1002/jsfa.3224
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Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z.,
Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia,
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Guo, Wu, et al., 2008
Guo, L.; Wu, J.-Z.; Han, T.; Cao, T.; Rahman, K.; Qin, L.-P.,
Chemical composition, antifungal and antitumor properties of ether extracts of Scapania verrucosa Heeg. and its endophytic fungus Chaetomium fusiforme,
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Paolini, Tomi, et al., 2008
Paolini, J.; Tomi, P.; Bernardini, A.-F.; Bradesi, P.; Casanova, J.; Kaloustian, J.,
Detailed analysis of the essential oil from Cistus albidus L. by combination of GC/RI, GC/MS and 13C-NMR spectroscopy,
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Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F.,
Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device,
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Volatile constituents of the roots of Echinops kebericho Mesfin,
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Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
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Limberger, Scopel, et al., 2007
Limberger, R.P.; Scopel, M.; Sobral, M.; Henriques, A.T.,
Comparative analysis of volatiles from Drimys brasiliensis Miers and D. angustifolia Miers (Winteraceae) from Southern Brazil,
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Pinto, E.; Salgueiro, L.R.; Cavaleiro, C.; Palmeira, A.; Goncalves, M.J.,
In vitro susceptibility of some species of yeasts and filamentous fungi to essential oils of Salvia of?cinalis,
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Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M.,
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Sylvestre, M.; Pichette, A.; Longtin, A.; Martin, M.-A.C.; Bercion, S.R.; Legault, J.,
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Borges, Rojas, et al., 2006
Borges, R.; Rojas, L.B.; Cegarra, J.A.; Usubillaga, A.,
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Boti, J.B.; Yao, P.A.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J.,
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Garneau F.X., Collin G., et al., 2006
Garneau F.X.; Collin G.; Gagnon H.; Jean F.I.; Strobl H.; Pichette A.,
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Havlik, J.; Kokoska, L.; Vasickova, S.; Valterova, I.,
Chemical composition of essential oil from the seeds of Nigella arvensis L. and assessment of its actimicrobial activity,
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Kitchlu, Bakshi, et al., 2006
Kitchlu, S.; Bakshi, S.K.; Kaul, M.K.; Bhan, M.K.; Thapa, R.K.; Agarwal, S.G.,
Tanacetum gracile Hook. f T. A new source of lavandulol from Ladakh Himalaya (India),
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Bezic, N.; Skocibusic, M.; Dunkic, V.,
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Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Parmentier, M.,
Chemical composition and olfactory characterization of essential oils of fruits and seeds of African pear (Dacryodes edulis (G. Don) H. J. Lam) from Cameroon,
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Kulisic, Radonic, et al., 2005
Kulisic, T.; Radonic, A.; Milos, M.,
Inhibition of Lard Oxidation by Fractions of Different Essential Oil,
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Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M.,
Essential oil constituents of three varieties of Kenyan sweet oranges (Citrus sinensis),
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Jiang, L.; Kubota, K.,
Differences in the volatile components and their odor characteristics of green and ripe fruits and dried pericarp of Japanese pepper (Xanthoxylum piperitum DC.),
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Lago, J.H.G.; de Ávila, P., Jr.; de Aquino, E.M.; Moreno, P.R.H.; Ohara, M.T.; Limberger, R.P.; Apel, M.A.; Henriques, A.T.,
Volatile oils from leaves and stem barks of Cedrela fissilis (Meliaceae): chemical composition and antibacterial activities,
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Lourens, Reddy, et al., 2004
Lourens, A.C.U.; Reddy, D.; Baser, K.H.C.; Viljoen, A.M.; Van Vuuren, S.F.,
In vitro Biological Activity and Essential Oil Composition of Four Indigenous South Africal Helichrysum Species,
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Dunlop, Bignell, et al., 2003
Dunlop, P.J.; Bignell, C.M.; Hibbert, D.B.; Brooker, M.I.H.,
Use of gas chromatograms of the essential leaf oils of the genus Eucalyptus for taxonomic purposes: E. subser. Euglobulares (Blakely),
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Mastelic and Jerkovic, 2003
Mastelic, J.; Jerkovic, I.,
Application of co-distillation with superheated pentane vapour to the isolation of unstable essential oils,
Flavour Fragr. J., 2003, 18, 6, 521-526, https://doi.org/10.1002/ffj.1261
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Stashenko, Jaramillo, et al., 2003
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R.,
Comparación de la composición química y de la actividad antioxidante in vitro de los metabolitos secundarios volátiles de plantas de la familia verbenaceae,
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Christoph, 2001
Christoph, F.,
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Notes
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