trans-Calamenene

Formula: C₁₅H₂₂
Molecular weight: 202.3352
IUPAC Standard InChI: InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13+/m1/s1
IUPAC Standard InChIKey: PGTJIOWQJWHTJJ-OLZOCXBDSA-N
CAS Registry Number: 73209-42-4
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
Stereoisomers:
Other names: (1R,4S)-4-Isopropyl-1,6-dimethyl-1,2,3,4-tetrahydronaphthalene; (E)-Calamenene; calamenene trans; T-Calamenene
Information on this page:
Other data available:
- Gas Chromatography
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Van Den Dool and Kratz RI, non-polar column, temperature ramp

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	DB-5	RTX-1	ZB-5	HP-5MS
Column length (m)	50.	30.	60.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.22	0.25	0.22	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	50.	60.
T_end (C)	220.	240.	230.	250.	280.
Heat rate (K/min)	2.	3.	2.	3.	3.
Initial hold (min)
Final hold (min)	20.		35.
I	1508.	1532.	1512.	1534.	1520.
Reference	Duquesnoy, Castola, et al., 2007	Flamini, Cioni, et al., 2007	Paolini, Muselli, et al., 2007	Simoniatto, Bonani, et al., 2007	Vagionas, Ngassapa, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	DB-5	BP-1	BP-1	DB-1
Column length (m)	50.	30.	50.	50.	30.
Carrier gas		N2	He	He	N2
Substrate
Column diameter (mm)	0.22	0.32	0.22	0.22	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	60.	60.	50.
T_end (C)	220.	240.	220.	220.	220.
Heat rate (K/min)	2.	3.	2.	2.	4.
Initial hold (min)		3.
Final hold (min)	20.	5.	20.	20.
I	1510.	1529.	1509.	1511.	1518.
Reference	Blanc, Bradesi, et al., 2006	Dob, Dahmane, et al., 2006	Duquesnoy, Dinh, et al., 2006	Gonny, Cavaleiro, et al., 2006	Kuiate, Bessière, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	DB-5	DB-5	DB-1	DB-1
Column length (m)	30.	30.	30.	30.	30.
Carrier gas	He	He	He		N2
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
T_start (C)	60.	50.	50.	50.	50.
T_end (C)	280.	250.	250.	250.	200.
Heat rate (K/min)	4.	5.	5.	2.	5.
Initial hold (min)	5.	2.	2.	8.
Final hold (min)
I	1520.	1529.	1529.	1515.	1523.
Reference	Saroglou, Dorizas, et al., 2006	Su, Ho, et al., 2006	Su, Ho, et al., 2006, 2	Dob, Dahmane, et al., 2005	Tchoumbougnang, Zollo, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	OV-1	RTX-1	HP-5	CP Sil 5 CB
Column length (m)	30.	25.	60.	30.	25.
Carrier gas	He	H2	He	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.22	0.25	0.25
Phase thickness (μm)	0.25	0.3	0.25	0.25	0.25
T_start (C)	60.	50.	60.	60.	60.
T_end (C)	280.	200.	230.	280.	280.
Heat rate (K/min)	4.	3.	2.	4.	4.
Initial hold (min)	5.	1.		5.	6.
Final hold (min)		20.	45.
I	1532.	1495.	1510.	1529.	1511.
Reference	Karioti, Hadjipavlou-Litina, et al., 2004	Bicchi, Rubiolo, et al., 2003	Cavalli, Tomi, et al., 2003	Skaltsa, Demetzos, et al., 2003	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	CP Sil 5 CB	CP Sil 5 CB	CP Sil 5 CB	HP-5	CP Sil 5 CB
Column length (m)	30.	50.	50.	30.	25.
Carrier gas	H2	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.32	0.32	0.25	0.25
Phase thickness (μm)	0.25	0.4	0.4	0.25
T_start (C)	60.	60.	60.	50.	60.
T_end (C)	280.	280.	280.	280.	260.
Heat rate (K/min)	2.	3.	3.	4.	5.
Initial hold (min)	10.	10.	10.	5.
Final hold (min)	40.	60.	60.
I	1511.	1511.	1515.	1536.	1514.
Reference	Pino, Marbot, et al., 2002, 2	Pino, Marbot, et al., 2002, 3	Pino, Marbot, et al., 2001	Skaltsa, Lazari, et al., 2000	Weyerstahl, Marschall, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	BP-1
Column length (m)	50.
Carrier gas	He
Substrate
Column diameter (mm)	0.22
Phase thickness (μm)	0.25
T_start (C)	60.
T_end (C)	230.
Heat rate (K/min)	2.
Initial hold (min)
Final hold (min)	35.
I	1513.
Reference	Mariotti, Costa, et al., 1997
Comment	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes

Duquesnoy, Castola, et al., 2007
Duquesnoy, E.; Castola, V.; Casanova, J., Composition and chemical variability of the twig oil of Abies alba Miller from Corsica, Flavour Fragr. J., 2007, 22, 4, 293-299, https://doi.org/10.1002/ffj.1796 . [all data]

Flamini, Cioni, et al., 2007
Flamini, G.; Cioni, P.L.; Morelli, I.; Bader, A., Essential oils of the aerial parts of three Salvia species from Jordan: Salvia lanigera, S. spinosa and S. syriaca, Food Chem., 2007, 100, 2, 732-735, https://doi.org/10.1016/j.foodchem.2005.10.032 . [all data]

Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J., Thymol derivatives from essential oil of Doronicum corsicum L., Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824 . [all data]

Simoniatto, Bonani, et al., 2007
Simoniatto, E.; Bonani, V.F.L.; Morel, A.F.; Poppi, N.R.; Raposo, J.L., Jr.; Stuker, C.Z.; Peruzzo, G.M.; Peres, M.T.L.P.; Hess, S.C., Chemical composition and evaluation of antibacterial and antioxidant activities of the essential oil of Croton urucurana Baillon (Euphorbiaceae) stem bark, J. Braz. Chem., 2007, 18, 5, 879-885, https://doi.org/10.1590/S0103-50532007000500002 . [all data]

Vagionas, Ngassapa, et al., 2007
Vagionas, K.; Ngassapa, O.; Runyoro, D.; Graikou, K.; Gortzi, O.; Chinou, I., Chemical analysis of edible aromatic plants growing in Tanzania, Food Chem., 2007, 105, 4, 1711-1717, https://doi.org/10.1016/j.foodchem.2007.05.029 . [all data]

Blanc, Bradesi, et al., 2006
Blanc, M.-C.; Bradesi, P.; Goncalves, M.J.; Salgueiro, L.; Casanova, J., Essential oil of Dittrichia viscosa ssp. viscosa: analysis by ¹³C-NMR and antimicrobial activity, Flavour Fragr. J., 2006, 21, 2, 324-332, https://doi.org/10.1002/ffj.1605 . [all data]

Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Chelghoum, C., Essential oil composition of Juniperus oxycedrus growing in Algeria, Pharm. Biol., 2006, 44, 1, 1-6, https://doi.org/10.1080/13880200500530922 . [all data]

Duquesnoy, Dinh, et al., 2006
Duquesnoy, E.; Dinh, N.H.; Castola, V.; Casanova, J., Composition of a Pyrolytic oil from Cupressus funebris Endl. of Vietnamese origin, Flavour Fragr. J., 2006, 21, 3, 453-457, https://doi.org/10.1002/ffj.1676 . [all data]

Gonny, Cavaleiro, et al., 2006
Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J., Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and ¹³C-NMR, Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527 . [all data]

Kuiate, Bessière, et al., 2006
Kuiate, J.R.; Bessière, J.M.; Vilarem, G.; Amvam Zollo, P.H., Chemical composition and antidermatophytic properties of the essential oils from leaves, flowers and fruits of Cupressus lusitanica Mill. from Cameroon, Flavour Fragr. J., 2006, 21, 4, 693-697, https://doi.org/10.1002/ffj.1686 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Su, Ho, et al., 2006
Su, Y.C.; Ho, C.L.; Wang, E.I.C., Analysis of leaf essential oils from the indigenous five conifers of Taiwan, Flavour Fragr. J., 2006, 21, 3, 447-452, https://doi.org/10.1002/ffj.1685 . [all data]

Su, Ho, et al., 2006, 2
Su, Y.-C.; Ho, C.-L.; Wang, E.I.-C.; Chang, S.-T., Antifungal activities and chemical compositions of essential oils from leaves of four eucalypts, Taiwan J. For. Sci., 2006, 21, 1, 49-61. [all data]

Dob, Dahmane, et al., 2005
Dob, T.; Dahmane, D.; Berramdane, T.; Chelghoum, C., Chemical composition of the essential oil of Artemisia campestris L. from Algeria, Pharm. Biol., 2005, 43, 6, 512-514, https://doi.org/10.1080/13880200500220664 . [all data]

Tchoumbougnang, Zollo, et al., 2005
Tchoumbougnang, F.; Zollo, P.H.A.; Boyom, F.F.; Nyegue, M.A.; Bessière, J.M.; Menut, C., Aromatic plants of tropical Central Africa. XLVIII. Comparative study of the essential oils of four Hyptis species from Cameroon: H. lanceolata Poit., H. pectinata (L.) Poit., H. spicigera Lam. and H. suaveolens Poit., Flavour Fragr. J., 2005, 20, 3, 340-343, https://doi.org/10.1002/ffj.1441 . [all data]

Karioti, Hadjipavlou-Litina, et al., 2004
Karioti, A.; Hadjipavlou-Litina, D.; Mensah, M.L.K.; Fleischer, T.C.; Skaltsa, H., Composition and antioxidant activity of the essential oils of Xylopia aethiopica (Dun) A. Rich. (Annonaceae) leaves, stem bark, root bark, and fresh and dried fruits, growing in Ghana, J. Agric. Food Chem., 2004, 52, 26, 8094-8098, https://doi.org/10.1021/jf040150j . [all data]

Bicchi, Rubiolo, et al., 2003
Bicchi, C.; Rubiolo, P.; Camargo, E.E.S.; Vilegas, W.; Gracioso, J.S.; Brito, A.R.M.S., Components of Turnera diffusa Willd. var. afrodisiaca (Ward) Urb. essential oil, Flavour Fragr. J., 2003, 18, 1, 59-61, https://doi.org/10.1002/ffj.1155 . [all data]

Cavalli, Tomi, et al., 2003
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J., Composition and chemical variability of the bark oil of Cedrelopsis grevei H. Baillon from Madagascar, Flavour Fragr. J., 2003, 18, 6, 532-538, https://doi.org/10.1002/ffj.1263 . [all data]

Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M., Essential oil analysis and antimicrobial activity of eight Stachys species from Greece, Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8 . [all data]

Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Quert, R.; García, H., Study of essential oils of Eucalyptus resinifera Smith, E. tereticornis Smith and Corymbia maculata (Hook.) K.D. Hill L.A.S. Johnson, grown in Cuba, Flavour Fragr. J., 2002, 17, 1, 1-4, https://doi.org/10.1002/ffj.1026 . [all data]

Pino, Marbot, et al., 2002, 2
Pino, J.A.; Marbot, R.; Bello, A., Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit, J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303 . [all data]

Pino, Marbot, et al., 2002, 3
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit, J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

Skaltsa, Lazari, et al., 2000
Skaltsa, H.D.; Lazari, D.M.; Loukis, A.E.; Constantinidis, T., Essential oil analysis of Nepeta argolica Bory Chaub. subsp. argolica (Lamiaceae) growing wild in Greece, Flavour Fragr. J., 2000, 15, 2, 96-99, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<96::AID-FFJ873>3.0.CO;2-F . [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Wahlburg, H.-C.; Christiansen, C.; Rustaiyan, A.; Mirdjalili, F., Constituents of the essential oil of Pulicaria gnaphalodes (Vent.) Boiss. from Iran, Flavour Fragr. J., 1999, 14, 2, 121-130, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<121::AID-FFJ790>3.0.CO;2-K . [all data]

Mariotti, Costa, et al., 1997
Mariotti, J.P.; Costa, J.; Bianchini, A.; Bernardini, A.F.; Casanova, J., Composition and variability of the essential oil of Stachys glutinosa L. from Corsica (France), Flavour Fragr. J., 1997, 12, 3, 205-209, https://doi.org/10.1002/(SICI)1099-1026(199705)12:3<205::AID-FFJ636>3.0.CO;2-I . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References

Symbols used in this document:

T_end Final temperature

T_start Initial temperature
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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