Bicyclo[3.1.1]heptane, 6-methyl-2-methylene-6-(4-methyl-3-pentenyl)-, [1R-(1α,5α,6β)]-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: DGZBGCMPRYFWFF-UHFFFAOYSA-N
- CAS Registry Number: 55123-21-2
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: 6-Methyl-2-methylene-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]heptane-, [1R-(1α,5α,6β)]-; Bergamotene; trans-β-bergamotene; (E)-β-Bergamotene; 6-Methyl-2-methylene-6-(4-methyl-3-pentenyl)-bicyclo[3.1.1]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 | CP Sil 5 CB | Methyl Silicone | RTX-5 | DB-5 |
Column length (m) | 25. | 25. | 25. | 30. | 30. |
Carrier gas | Helium | He | N2 | He | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.3 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.30 | 0.15 | 0.25 | 0.25 | |
Tstart (C) | 40. | 80. | 50. | 60. | 60. |
Tend (C) | 260. | 270. | 210. | 220. | 250. |
Heat rate (K/min) | 10. | 10. | 2. | 3. | 3. |
Initial hold (min) | 2. | 5. | |||
Final hold (min) | 20. | ||||
I | 1470. | 1480. | 1471. | 1484. | 1446. |
Reference | Sandoval-Montemayor, Garcia, et al., 2012 | Ayoub, Al-Azizi, et al., 2006 | Tonzibo, Coffy, et al., 2006 | Szafranek, Chrapkowska, et al., 2005 | Limberger, Simões-Pires, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | DB-5MS | CP Sil 5 CB | OV-1 | DB-5 |
Column length (m) | 25. | 30. | 25. | 25. | 30. |
Carrier gas | He | H2 | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | |
Tstart (C) | 50. | 40. | 50. | 40. | 65. |
Tend (C) | 200. | 280. | 320. | 220. | 300. |
Heat rate (K/min) | 5. | 4. | 3. | 3. | 4. |
Initial hold (min) | 5. | 2. | |||
Final hold (min) | 5. | 5. | |||
I | 1430. | 1436. | 1467. | 1424. | 1435. |
Reference | Boyom, Keumedjio, et al., 2002 | Phutdhawong, Korth, et al., 2002 | Asekun and Ekundayo, 1999 | Oberhofer, Nikiforov, et al., 1999 | Elias, Simoneit, et al., 1997 |
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 | He | ||
Substrate | |||
Column diameter (mm) | 0.32 | ||
Phase thickness (μm) | 0.50 | ||
Tstart (C) | 50. | 50. | 50. |
Tend (C) | 250. | 240. | 240. |
Heat rate (K/min) | 8. | 4. | 4. |
Initial hold (min) | 1. | 2. | 2. |
Final hold (min) | 6. | 10. | 10. |
I | 1438. | 1427. | 1427. |
Reference | Sagrero-Nieves and Bartley, 1996 | 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.
Sandoval-Montemayor, Garcia, et al., 2012
Sandoval-Montemayor, N.E.; Garcia, A.; Elizondo-Trevino, E.; Garza-Gonzales, E.; Alvarez, L.; Camacho-Corona, M. delR.,
Chemical composition of hexane extract of Citrus aurantifolia and anti-mycobacterium tuberculosis activity of some of its constituents,
Molecules, 2012, 17, 12, 11173-11184, https://doi.org/10.3390/molecules170911173
. [all data]
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
. [all data]
Tonzibo, Coffy, et al., 2006
Tonzibo, Z.F.; Coffy, A.A.; Chalachat, J.C.; N'guessan, Y.T.,
Chemical composition of essential oils of Hoslundia opposita Vahl. from Ivory Coast.,
Flavour Fragr. J., 2006, 21, 5, 789-791, https://doi.org/10.1002/ffj.1715
. [all data]
Szafranek, Chrapkowska, et al., 2005
Szafranek, B.; Chrapkowska, K.; Pawinska, M.; Szafranek, J.,
Analysis of leaf surface sesquiterpenes in potato varieties,
J. Agric. Food Chem., 2005, 53, 8, 2817-2822, https://doi.org/10.1021/jf040437g
. [all data]
Limberger, Simões-Pires, et al., 2003
Limberger, R.P.; Simões-Pires, C.A.; Sobral, M.; Menut, C.; Bessiere, J.-M.; Henriques, A.T.,
Essential oils of six Gomidesia spp. from southern Brazil,
Flavour Fragr. J., 2003, 18, 2, 144-147, https://doi.org/10.1002/ffj.1122
. [all data]
Boyom, Keumedjio, et al., 2002
Boyom, F.F.; Keumedjio, F.; Dongmo, P.M.J.; Ngadjui, B.T.; Zollo, A.; Menut, C.; Bessiere, J.M.,
Essential oils from Croton zambesicus Muell. Arg. growing in Cameroon,
Flavour Fragr. J., 2002, 17, 3, 215-217, https://doi.org/10.1002/ffj.1081
. [all data]
Phutdhawong, Korth, et al., 2002
Phutdhawong, W.; Korth, J.; Buddhasukh, D.; Pyne, S.G.,
Volatile components from Cephalotaxus griffithii growing in northern Thailand,
Flavour Fragr. J., 2002, 17, 2, 153-155, https://doi.org/10.1002/ffj.1064
. [all data]
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
. [all data]
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
. [all data]
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
. [all data]
Sagrero-Nieves and Bartley, 1996
Sagrero-Nieves, L.; Bartley, J.P.,
Volatile components from the leaves of heterotheca inuloides Cass.,
Flavour Fragr. J., 1996, 11, 1, 49-51, https://doi.org/10.1002/(SICI)1099-1026(199601)11:1<49::AID-FFJ538>3.0.CO;2-J
. [all data]
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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