Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13?,14?,15-/m0/s1
- IUPAC Standard InChIKey: PGBNIHXXFQBCPU-NRXISQOPSA-N
- CAS Registry Number: 511-59-1
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-; β-Santalene; (-)-β-Santalene; 2-Methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane; (1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane
- 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 | HP-5 MS | DB-5 | BPX-5 | CP Sil 5 CB | HP-5MS |
| Column length (m) | 30. | 30. | 50. | 25. | 30. |
| Carrier gas | Helium | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | |
| Tstart (C) | 60. | 60. | 50. | 80. | 60. |
| Tend (C) | 230. | 240. | 300. | 270. | 280. |
| Heat rate (K/min) | 3. | 3. | 4. | 10. | 4. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 10. | ||||
| I | 1467. | 1457. | 1492. | 1460. | 1460. |
| Reference | Pripdeevech and Saansoomchai, 2013 | Magalhaes, Lima, et al., 2010 | Rali, Wossa, et al., 2007 | Ayoub, Al-Azizi, et al., 2006 | Ebrahim Sajjadi and Mehregan, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | SPB-5 | DB-5 | DB-1 | ZB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 40. |
| Tend (C) | 280. | 250. | 200. | 230. | 260. |
| Heat rate (K/min) | 3. | 4. | 2. | 3. | 6. |
| Initial hold (min) | 2. | 3. | 4.6 | ||
| Final hold (min) | 30. | 20. | 60. | 10. | 1. |
| I | 1437. | 1463. | 1458. | 1449. | 1469. |
| Reference | Maronigiu, Piras, et al., 2006 | Pino, Marquez, et al., 2006 | Rout, Naik, et al., 2006 | Tohar, Mohd, et al., 2006 | Jürgens and Dötterl, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-1 | DB-5 | DB-5MS | DB-1 |
| Column length (m) | 30. | 50. | 30. | 30. | 33. |
| Carrier gas | He | N2 | 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 | 0.50 | |
| Tstart (C) | 60. | 95. | 60. | 50. | 50. |
| Tend (C) | 300. | 240. | 240. | 280. | 135. |
| Heat rate (K/min) | 3. | 4. | 3. | 15. | 20. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 10. | ||||
| I | 1445. | 1459. | 1465. | 1443. | 1467. |
| Reference | Lago, de Ávila, et al., 2004 | Perez-Alonso, Velasco-Negueruela, et al., 2003 | da Silva, Luz, et al., 2003 | Damon, Hernández, et al., 2002 | Feger, Brandauer, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-1 | SE-30 | SE-30 |
| Column length (m) | 60. | 30. | 30. |
| Carrier gas | |||
| Substrate | |||
| Column diameter (mm) | 0.32 | ||
| Phase thickness (μm) | |||
| Tstart (C) | 50. | 50. | 50. |
| Tend (C) | 230. | 240. | 240. |
| Heat rate (K/min) | 4. | 4. | 4. |
| Initial hold (min) | 2. | 2. | |
| Final hold (min) | 10. | 10. | 10. |
| I | 1453. | 1450. | 1450. |
| Reference | Binder, Turner, et al., 1990 | Ramaswami, Briscese, et al., 1988 | Ramaswami, Briscese, et al., 1986 |
| 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.
Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J.,
Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers,
Chiang Mai J. Sci., 2013, 40, 2, 214-223. [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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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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Ayoub, Al-Azizi, et al., 2006
Ayoub, N.; Al-Azizi, M.; König, W.; Kubeczka, K.-H.,
Essential oils and a novel polyacetylene from Eryngium yuccifolium Michaux. (Apiaceae),
Flavour Fragr. J., 2006, 21, 6, 864-868, https://doi.org/10.1002/ffj.1631
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Ebrahim Sajjadi and Mehregan, 2006
Ebrahim Sajjadi, S.; Mehregan, I.,
Volatile constituents of flowers and leaves of Anthemis hyalina,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 5, 531-533, https://doi.org/10.1007/s10600-006-0207-2
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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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Pino, Marquez, et al., 2006
Pino, J.A.; Marquez, E.; Marbot, R.,
Volatile constituents from tea of roselle (Hibiscus sabdariffa L.),
Rev. CENIC Ciencias Quimicas, 2006, 37, 3, 127-129. [all data]
Rout, Naik, et al., 2006
Rout, P.K.; Naik, S.N.; Rao, Y.R.,
Composition of the concrete, absolute, headspace and essential oil of the flowers of Michelia champaca Linn.,
Flavour Fragr. J., 2006, 21, 6, 906-911, https://doi.org/10.1002/ffj.1742
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Tohar, Mohd, et al., 2006
Tohar, N.; Mohd, M.A.; Jantan, I.; Awang, K.,
A comparative study of the essential oils of the genus Plumeria Linn. from Malaysia,
Flavour Fragr. J., 2006, 21, 6, 859-863, https://doi.org/10.1002/ffj.1617
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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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Lago, de Ávila, et al., 2004
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,
Flavour Fragr. J., 2004, 19, 5, 448-451, https://doi.org/10.1002/ffj.1347
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Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J.,
Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone,
Biochem. Syst. Ecol., 2003, 31, 1, 77-84, https://doi.org/10.1016/S0305-1978(02)00082-0
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da Silva, Luz, et al., 2003
da Silva, J.D.; Luz, A.I.R.; da Silva, M.H.L.; Andrade, E.H.A.; Soghbi, M.G.B.; Maia, J.G.S.,
Essential oils of the leaves and stems of four Psidium spp.,
Flavour Fragr. J., 2003, 18, 3, 240-243, https://doi.org/10.1002/ffj.1219
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Damon, Hernández, et al., 2002
Damon, A.A.; Hernández, A.S.; Rojas, J.C.,
Analysis of the fragrance produced by the epiphytic orchid Anathallis (Pleurothallis) racemiflora (orchidaceae) in the Soconusco region, Chiapas, Mexico,
Lindleyana, 2002, 17, 2, 93-97. [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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Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Comparison of yellow starthistle volatiles from different plant parts,
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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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