Tricyclo[2.2.1.0(2,6)]heptane, 1,7-dimethyl-7-(4-methyl-3-pentenyl)-, (-)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10(2)6-5-7-14(3)11-8-12-13(9-11)15(12,14)4/h6,11-13H,5,7-9H2,1-4H3
- IUPAC Standard InChIKey: KWFJIXPIFLVMPM-UHFFFAOYSA-N
- CAS Registry Number: 512-61-8
- 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: α-Santalene; (-)-α-Santalene; Santalen; Santalene; 1,7-Dimethyl-7-(4-methyl-3-pentenyl)-tricyclo[2.2.1.0(2,6)]heptane, (-)-; 1,7-Dimethyl-7-(4-methyl-3-pentenyl)tricyclo[2.2.1.0(2.6)]heptane; 1,7-Dimethyl-7-(4-methyl-3-pentenyl)-tricyclo[2.2.1.0(2,6)]heptane
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- Other data available:
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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 | ZB-5 MS | RTX-1 | DB-5 | HP-5 MS | DB-5MS |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | 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. | 60. | 60. | 60. |
| Tend (C) | 290. | 230. | 240. | 250. | 280. |
| Heat rate (K/min) | 5. | 2. | 3. | 2. | 3. |
| Initial hold (min) | 8. | ||||
| Final hold (min) | 30. | 15. | 30. | ||
| I | 1447. | 1422. | 1419. | 1427. | 1421. |
| Reference | Boix, Victorio, et al., 2010 | Dib, Djabou, et al., 2010 | Magalhaes, Lima, et al., 2010 | Sahraoui, Vian, et al., 2008 | Maronigiu, Piras, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-5 | Methyl Silicone | ZB-5 | DB-1 |
| Column length (m) | 60. | 30. | 12.5 | 60. | 50. |
| Carrier gas | He | He | He | He | N2 |
| 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 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 40. | 95. |
| Tend (C) | 250. | 220. | 270. | 260. | 240. |
| Heat rate (K/min) | 5. | 4. | 4. | 6. | 4. |
| Initial hold (min) | 4. | 4.6 | |||
| Final hold (min) | 1. | ||||
| I | 1428. | 1418. | 1428. | 1440. | 1414. |
| Reference | Fakhari, Salehi, et al., 2005 | Morteza-Semnani and Saeedi, 2005 | Ricci, Fraternale, et al., 2005 | Jürgens and Dötterl, 2004 | Palá-Paúl, Velasco-Negueruela, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Methyl Silicone | HP-1 | Optima-5 | CBP-1 | DB-1 |
| Column length (m) | 12.5 | 30. | 30. | 25. | 60. |
| Carrier gas | He | He | He | Nitrogen | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 70. | 50. | 50. | 60. |
| Tend (C) | 270. | 200. | 250. | 210. | 220. |
| Heat rate (K/min) | 4. | 10. | 3. | 3. | 3. |
| Initial hold (min) | 3. | 2. | 5. | ||
| Final hold (min) | 22. | ||||
| I | 1435. | 1424. | 1421. | 1412. | 1428. |
| Reference | Curini, Bianchi, et al., 2003 | Fekam Boyom, Amvam Zollo, et al., 2003 | Jacquemond-Collet, Bessière, et al., 2001 | Ly, Yamauchi, et al., 2001 | Bailac, Dellacasa, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | CP Sil 5 CB | OV-101 | OV-1 | CP Sil 5 CB |
| Column length (m) | 33. | 25. | 25. | 25. | 25. |
| Carrier gas | N2 | H2 | H2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.50 | 0.15 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 50. | 50. | 40. | 50. |
| Tend (C) | 135. | 320. | 200. | 220. | 290. |
| Heat rate (K/min) | 20. | 3. | 5. | 3. | 4. |
| Initial hold (min) | 2. | 5. | |||
| Final hold (min) | 5. | ||||
| I | 1432. | 1405. | 1405. | 1407. | 1409. |
| Reference | Feger, Brandauer, et al., 2000 | Asekun and Ekundayo, 1999 | Kuiate, Zollo, et al., 1999 | Oberhofer, Nikiforov, et al., 1999 | Bos, Woerdenbag, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | CP Sil 5 CB | DB-5 | SE-30 | SE-30 |
| Column length (m) | 25. | 30. | 30. | 30. |
| Carrier gas | N2 | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 65. | 50. | 50. |
| Tend (C) | 290. | 300. | 240. | 240. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. |
| Initial hold (min) | 2. | 2. | 2. | |
| Final hold (min) | 10. | 10. | ||
| I | 1409. | 1424. | 1412. | 1412. |
| Reference | Bos, Woerdenbag, et al., 1997 | Elias, Simoneit, et al., 1997 | Ramaswami, Briscese, et al., 1988 | Ramaswami, Briscese, et al., 1986 |
| Comment | MSDC-RI | 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.
Boix, Victorio, et al., 2010
Boix, V.F.; Victorio, C.P.; Lage, C.L.S.; Kuster, R.M.,
Volatile compounds from Rosmarinus officinalis L. and Baccharis dracunculifolia DC. growing in Southeast coast of Brasil,
Quim. Nova, 2010, 33, 2, 255-257, https://doi.org/10.1590/S0100-40422010000200004
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Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J.,
Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation,
Chem, Centr. J., 2010, 4, 16, 1-15. [all data]
Magalhaes, Lima, et al., 2010
Magalhaes, L.A.M.; Lima, M. daP.; Marques, M.O.M.; Facanali, R.; Pinto, A.C. daS.; Tadei, W.P.,
Chemical composition and larvicidal activity against Aedes aegypti Larvae of essential oils from four Guarea species,
Molecules, 2010, 15, 8, 5734-5741, https://doi.org/10.3390/molecules15085734
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Sahraoui, Vian, et al., 2008
Sahraoui, N.; Vian, M.A.; Bornard, I.; Boutekedjiret, C.; Chemat, F.,
Improved microwave steam distillation apparatus for isolation of essential oils. Comparison with conventional steam distillation,
J. Chromatogr. A., 2008, 1210, 2, 229-233, https://doi.org/10.1016/j.chroma.2008.09.078
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Maronigiu, Piras, et al., 2006
Maronigiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.,
Extraction of Santalum album and Boswellia carterii Birdw. volatile oil by supercritical carbon dioxide: influence of some process parameters,
Flavour Fragr. J., 2006, 21, 4, 718-724, https://doi.org/10.1002/ffj.1718
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Fakhari, Salehi, et al., 2005
Fakhari, A.R.; Salehi, P.; Heydari, R.; Ebrahimi, S.N.; Haddad, P.R.,
Hydrodistillation-headspace solvent microextraction, a new method for analysis of the essential oil components of Lavandula angustifolia Mill.,
J. Chromatogr. A, 2005, 1098, 1-2, 14-18, https://doi.org/10.1016/j.chroma.2005.08.054
. [all data]
Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M.,
The essential oil composition of Hypericum androsaemum L. leaves and flowers from Iran,
Flavour Fragr. J., 2005, 20, 3, 332-334, https://doi.org/10.1002/ffj.1432
. [all data]
Ricci, Fraternale, et al., 2005
Ricci, D.; Fraternale, D.; Giamperi, L.; Bucchini, A.; Epifano, F.; Burini, G.; Curini, M.,
Chemical composition, antimicrobial and antioxidant activity of the essential oil of Teucrium marum (Lamiaceae),
J. Ethnopharmacol., 2005, 98, 1-2, 195-200, https://doi.org/10.1016/j.jep.2005.01.022
. [all data]
Jürgens and Dötterl, 2004
Jürgens, A.; Dötterl, S.,
Chemical composition of anther volatiles in Ranunculaceae: genera-specific profiles in Aemone, Aquilegia, Caltha, Pulsatilla, Ranunculus, and Trollius species,
American Journal of Botany, 2004, 91, 12, 1969-1980, https://doi.org/10.3732/ajb.91.12.1969
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Palá-Paúl, Velasco-Negueruela, et al., 2004
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Maqueda, J.; Sanz, J.,
Volatile oil constituents from different parts of Cachrys trifida L.,
J. Essent. Oil Res., 2004, 16, 4, 347-349, https://doi.org/10.1080/10412905.2004.9698738
. [all data]
Curini, Bianchi, et al., 2003
Curini, M.; Bianchi, A.; Epifano, F.; Bruni, R.; Torta, L.; Zambonelli, A.,
Composition and in vitro antifungal activity of essential oils of Erigeron canadensis and Myrtus communis from France,
Chem. Nat. Compd. (Engl. Transl.), 2003, 39, 2, 191-194, https://doi.org/10.1023/A:1024818015122
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Fekam Boyom, Amvam Zollo, et al., 2003
Fekam Boyom, F.; Amvam Zollo, P.H.; Agnaniet, H.; Menut, C.; Bessière, J.M.,
Aromatic plants of tropical central Africa. Part XLIII volatiles components from Uvariastrum pierreanum Engl. (Engl. Diels) growing in Cameroon,
Flavour Fragr. J., 2003, 18, 4, 296-298, https://doi.org/10.1002/ffj.1218
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Jacquemond-Collet, Bessière, et al., 2001
Jacquemond-Collet, I.; Bessière, J.-M.; Hannedouche, S.; Bertrand, C.; Fourasté, I.; Moulis, C.,
Identification of the alkaloids of Galipea officinalis by gas chromatography-mass spectrometry,
Phytochem. Anal., 2001, 12, 5, 312-319, https://doi.org/10.1002/pca.594
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Ly, Yamauchi, et al., 2001
Ly, T.N.; Yamauchi, R.; KAto, K.,
Volatile components of the essential oils in Galanga (Alpina officinarum Hance) from Vietnam,
Food Sci. Technol. Res., 2001, 7, 4, 303-306, https://doi.org/10.3136/fstr.7.303
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Bailac, Dellacasa, et al., 2000
Bailac, P.N.; Dellacasa, A.D.; Bernasconi, H.O.; Firpo, N.H.; Ponzi, M.I.,
Composicion del aceite esencial y actividad antimicrobiana de eupatorium patens,
Bol. Soc. Chil. Quim., 2000, 45, 207-211. [all data]
Feger, Brandauer, et al., 2000
Feger, W.; Brandauer, H.; Ziegler, H.,
Sesquiterpene hydrocarbons of cold-pressed lime oils,
Flavour Fragr. J., 2000, 15, 4, 281-284, https://doi.org/10.1002/1099-1026(200007/08)15:4<281::AID-FFJ916>3.0.CO;2-W
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Asekun and Ekundayo, 1999
Asekun, O.T.; Ekundayo, O.,
Constituents of the leaf essential oil of Cedrela odorata L. from Nigeria,
Flavour Fragr. J., 1999, 14, 6, 390-392, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<390::AID-FFJ850>3.0.CO;2-3
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Kuiate, Zollo, et al., 1999
Kuiate, J.-R.; Zollo, P.-H.A.; Nguefa, E.H.; Bessière, J.-M.; Lamaty, G.; Menut, C.,
Composition of the essential oils from the leaves of Microglossa pyrifolia (Lam.) O. Kuntze and Helichrysum odoratissimum (L.) Less. growing in Cameroon,
Flavour Fragr. J., 1999, 14, 2, 82-84, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<82::AID-FFJ780>3.0.CO;2-Z
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Oberhofer, Nikiforov, et al., 1999
Oberhofer, B.; Nikiforov, A.; Buchbauer, G.; Jirovetz, L.; Bicchi, C.,
Investigation of the alteration of the composition of various essential oils used in aroma lamp applications,
Flavour Fragr. J., 1999, 14, 5, 293-299, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<293::AID-FFJ829>3.0.CO;2-T
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Bos, Woerdenbag, et al., 1997
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Smit, H.F.; Wikström, H.V.; Scheffer, J.J.C.,
Composition of the essential oil from roots and rhizomes of Valeriana wallichii DC,
Flavour Fragr. J., 1997, 12, 2, 123-131, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<123::AID-FFJ613>3.0.CO;2-4
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Elias, Simoneit, et al., 1997
Elias, V.O.; Simoneit, B.R.T.; Cardoso, J.N.,
Analysis of volatile sesquiterpenoids in environmental and geological samples,
J. Hi. Res. Chromatogr., 1997, 20, 6, 305-309, https://doi.org/10.1002/jhrc.1240200602
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Ramaswami, Briscese, et al., 1988
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T.,
Sesquiterpene hydrocarbons: from mass confusion to orderly line-up
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 951-980. [all data]
Ramaswami, Briscese, et al., 1986
Ramaswami, S.K.; Briscese, P.; Gargiullo, R.J.; von Geldern, T.,
Sesquiterpene hydrocarbons: from mass confusion to orderly line-up
in Flavors and Fragrances: A World Perspective, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Proceedings of the 10th International Congress of Essential Oils, Fragrances, and Flavors, Washington, DC, 1986, 951-959. [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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