Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3
IUPAC Standard InChIKey: YMBFCQPIMVLNIU-UHFFFAOYSA-N
CAS Registry Number: 17699-05-7
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
Stereoisomers:
Other names: 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-; α-Bergamotene; trans-α-Bergamotene; Bicyclo[3,1,1]hept-2-ene,2,6-dimethyl-6-[4-methyl-3-pentenyl]-; 2,6-dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
Options:
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Kovats' 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	DB-1	HP-5MS	SPB-1	HP-5	BP-1
Column length (m)	30.	30.	30.	30.	25.
Carrier gas	He	He	He	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	50.	60.	50.	60.	60.
T_end (C)	280.	200.	250.	200.	220.
Heat rate (K/min)	5.	4.	2.	4.	5.
Initial hold (min)	3.	1.	2.	1.
Final hold (min)		15.	5.	15.	15.
I	1435.	1433.	1434.	1436.	1440.
Reference	Allegrone, Belliardo, et al., 2006	Juliani, Zygadlo, et al., 2004	Yadav, Chauhan, et al., 2004	Juliani and Simon, 2002	Raina, Srivastava, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-1	DB-1	HP-5MS	SE-30	DB-1
Column length (m)	30.	28.	30.	25.	28.
Carrier gas	N2	He	He	N2	He
Substrate
Column diameter (mm)	0.32	0.25	0.32	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.25		0.25
T_start (C)	60.	50.	70.	60.	50.
T_end (C)	220.	270.	250.	180.	270.
Heat rate (K/min)	5.	4.5	3.	3.	4.
Initial hold (min)		1.	5.	10.	1.
Final hold (min)	13.			1.
I	1422.	1434.	1428.	1430.	1434.
Reference	Shawl, Srivastava, et al., 2002	Nagalakshmi, Thangadurai, et al., 2001	Siani, Ramos, et al., 1999	Jantan, Ahmad, et al., 1996	Saad, El-Sharkawy, et al., 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Kovats' RI, non-polar column, temperature ramp, Notes

Allegrone, Belliardo, et al., 2006
Allegrone, G.; Belliardo, F.; Cabella, P., Comparison of volatile concentrations in hand-squeezed juices of four different lemon varieties, J. Agric. Food Chem., 2006, 54, 5, 1844-1848, https://doi.org/10.1021/jf051206s . [all data]

Juliani, Zygadlo, et al., 2004
Juliani, H.R.; Zygadlo, J.A.; Scrivanti, R.; de la Sota, E.; Simon, J.E., The essential oil of Anemia tomentosa (Savigny) Sw. var. anthriscifolia (Schrad.) Mickel, Flavour Fragr. J., 2004, 19, 6, 541-543, https://doi.org/10.1002/ffj.1341 . [all data]

Yadav, Chauhan, et al., 2004
Yadav, A.R.; Chauhan, A.S.; Rekha, M.N.; Rao, L.J.M.; Ramteke, R.S., Flavour quality of dehydrated lime [Citrus aurantifolia (Christm.) Swingle], Food Chem., 2004, 85, 1, 59-62, https://doi.org/10.1016/j.foodchem.2003.06.002 . [all data]

Juliani and Simon, 2002
Juliani, H.R.; Simon, J.E., Antioxidant acitivity of basil in Trends in new crops and new uses, Janick,J.; Whipkey,A., ed(s)., ASHA Press, Alexandria, Va, 2002, 575-579. [all data]

Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Syamasunder, K.V., The essential oil of 'greater galangal' [Alpinia galanga (L.) Willd.] from the lower Himalayan region of India, Flavour Fragr. J., 2002, 17, 5, 358-360, https://doi.org/10.1002/ffj.1105 . [all data]

Shawl, Srivastava, et al., 2002
Shawl, A.S.; Srivastava, S.K.; Syamasundar, K.V.; Tripathi, S.; Raina, V.K., Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India, Flavour Fragr. J., 2002, 17, 3, 165-168, https://doi.org/10.1002/ffj.1074 . [all data]

Nagalakshmi, Thangadurai, et al., 2001
Nagalakshmi, M.A.H.; Thangadurai, D.; Anuradha, T.; Pullaiah, T., Essential oil constituents of Melia dubia, a wild relative of Azadirachta indica growing in the Eastern Ghats of Peninsular India, Flavour Fragr. J., 2001, 16, 4, 241-244, https://doi.org/10.1002/ffj.986 . [all data]

Siani, Ramos, et al., 1999
Siani, A.C.; Ramos, M.F.S.; Menezes-de-Lima, O., Jr.; Ribeiro-dos-Santos, R.; Fernadez-Ferreira, E.; Soares, R.O.A.; Rosas, E.C.; Susunaga, G.S.; Guimarães, A.C.; Zoghbi, M.G.B.; Henriques, M.G.M.O., Evaluation of anti-inflammatory-related activity of essential oils from the leaves and resin of species of Protium, J. Ethnopharmacol., 1999, 66, 1, 57-69, https://doi.org/10.1016/S0378-8741(98)00148-2 . [all data]

Jantan, Ahmad, et al., 1996
Jantan, I.; Ahmad, A.S.; Ahmad, A.R.; Ali, N.A.M.; Ayop, N., Chemical composition of some citrus oils from Malaysia, J. Essent. Oil Res., 1996, 8, 6, 627-632, https://doi.org/10.1080/10412905.1996.9701030 . [all data]

Saad, El-Sharkawy, et al., 1995
Saad, H.-E.A.; El-Sharkawy, S.H.; Halim, A.F., Essential oils of Daucus carota ssp. maximus, Pharm. Acta Helv., 1995, 70, 1, 79-84, https://doi.org/10.1016/0031-6865(94)00054-Y . [all data]

Notes

Go To: Top, Kovats' 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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