1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-

Formula: C₁₅H₂₄
Molecular weight: 204.3511
IUPAC Standard InChI: InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
IUPAC Standard InChIKey: JSNRRGGBADWTMC-NTCAYCPXSA-N
CAS Registry Number: 77129-48-7
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
Stereoisomers:
Other names: 7,11-Dimethyl-3-methylene-1,6,10-dodecatriene; β-Farnesene; 7,11-dimethyl-3-methylenedodeca-1,6,10-triene
Information on this page:
Other data available:
- Gas Chromatography
Options:
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Normal alkane 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-5	HP-5 MS	HP-5MS	HP-1	DB-1
Column length (m)	30.	30.	30.	50.	60.
Carrier gas	Helium	Helium	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.33	0.25
T_start (C)	45.	50.	50.	60.	70.
T_end (C)	250.	280.	280.	250.	230.
Heat rate (K/min)	3.	4.	5.	2.	2.
Initial hold (min)	3.		4.		2.
Final hold (min)	5.		10.	40.	20.
I	1459.	1459.	1460.	1444.	1448.
Reference	Porto, Decorti, et al., 2009	Zhao, Zeng, et al., 2009	Cho, Abd El-Aty, et al., 2007	Filippi, Lanfranchi, et al., 2006	Sawamura, Onishi, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-5MS	HP-5 MS	CP Sil 5 CB	OV-101
Column length (m)	25.	30.	30.	20.	50.
Carrier gas	H2	He	Helium	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.2
Phase thickness (μm)	0.52	0.25	0.25	0.25	0.5
T_start (C)	50.	60.	60.	100.	50.
T_end (C)	280.	275.	240.	270.	250.
Heat rate (K/min)	2.5	4.	3.	8.	2.
Initial hold (min)	5.			2.
Final hold (min)
I	1450.	1464.	1457.	1422.	1450.
Reference	Wang, Kong, et al., 2006	Asadipour, Mehrabani, et al., 2005	Urdampilleta, Amat, et al., 2005	Thappa, Bakshi, et al., 2004	Orav, Kailas, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	PTE-5	CBP-1	OV-101	OV-101
Column length (m)	60.	60.	25.	50.	50.
Carrier gas		H2	Nitrogen	He	N2
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.2	0.25
Phase thickness (μm)	0.25	0.30	0.25
T_start (C)	40.	60.	50.	50.	80.
T_end (C)	250.	285.	210.	250.	200.
Heat rate (K/min)	5.	4.3	3.	2.	2.
Initial hold (min)	15.		2.
Final hold (min)
I	1460.	1458.	1446.	1445.	1449.
Reference	Stashenko, Jaramillo, et al., 2003	Gudzic, Djokovic, et al., 2002	Ly, Yamauchi, et al., 2001	Orav and Kann, 2001	Yang, 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	SPB-1	OV-101	DB-5MS	SPB-5
Column length (m)	50.	50.	50.	30.	50.
Carrier gas	N2		N2	He	He
Substrate
Column diameter (mm)	0.25	0.2	0.2	0.25	0.32
Phase thickness (μm)		0.33		0.25	0.25
T_start (C)	80.	60.	80.	60.	60.
T_end (C)	200.	260.	200.	240.	240.
Heat rate (K/min)	2.	4.	1.	3.	3.
Initial hold (min)
Final hold (min)			20.		20.
I	1449.	1447.	1444.	1458.	1458.
Reference	Yang, 2001, 2	Choo, Wong, et al., 1999	Menon, Chacko, et al., 1999	Zoghbi, Andrade, et al., 1999	Doneanu and Anitescu, 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-1	HP-5	OV-1	CBP-1	HP-5
Column length (m)	50.	25.	30.	25.
Carrier gas	He	He		He
Substrate
Column diameter (mm)	0.32	0.2	0.32	0.22
Phase thickness (μm)	0.25	0.33	0.25
T_start (C)	50.	70.	40.	60.	35.
T_end (C)	250.	290.	270.	240.	200.
Heat rate (K/min)	10.	3.	2.	5.	6.
Initial hold (min)	5.	8.	4.		2.
Final hold (min)	20.	20.
I	1450.	1484.	1455.	1458.	1437.
Reference	Kökdil, Kurucu, et al., 1998	Poiana, Sicari, et al., 1998	Kökdil, Tanker, et al., 1997	Zygadlo, Ariza-Espinar, et al., 1997	Larsen and Frisvad, 1995
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	HP-101	RSL-150	OV-101	OV-101
Column length (m)		50.	30.	50.	50.
Carrier gas		H2		N2	N2
Substrate
Column diameter (mm)		0.32	0.32	0.25	0.25
Phase thickness (μm)		0.3	0.20
T_start (C)	35.	65.	30.	80.	80.
T_end (C)	200.	300.	200.	200.	200.
Heat rate (K/min)	6.	2.	3.	2.	2.
Initial hold (min)	2.	5.
Final hold (min)
I	1466.	1472.	1447.	1448.	1449.
Reference	Larsen and Frisvad, 1995	Demarne and van der Walt, 1993	Ronse and De Pooter, 1990	Yang and Sugisawa, 1990	Yang and Sugisawa, 1990
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	OV-101	OV-101	OV-1	OV-101	OV-1
Column length (m)	50.	50.	50.	50.	40.
Carrier gas	N2	N2	He		He
Substrate
Column diameter (mm)	0.25	0.25	0.20	0.30	0.5
Phase thickness (μm)			0.20		0.75
T_start (C)	80.	80.	30.	40.	30.
T_end (C)	200.	200.	220.	230.	220.
Heat rate (K/min)	2.	2.	2.	3.5	3.
Initial hold (min)				5.
Final hold (min)
I	1448.	1449.	1446.	1448.	1446.
Reference	Sugisawa, Yang, et al., 1989	Sugisawa, Yang, et al., 1989	de Pooter, Nicolai, et al., 1988	Nykanen, 1986	de Pooter, de Buyck, et al., 1986
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary
Active phase	OV-101	OV-3
Column length (m)	30.	150.
Carrier gas	He
Substrate
Column diameter (mm)	0.5	0.66
Phase thickness (μm)	0.8
T_start (C)	40.	20.
T_end (C)	220.	170.
Heat rate (K/min)	2.	1.
Initial hold (min)
Final hold (min)
I	1447.	1450.
Reference	De Pooter and Schamp, 1986	Buttery, Xu, et al., 1985
Comment	MSDC-RI	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes

Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I., Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods, Food Chem., 2009, 112, 4, 1072-1078, https://doi.org/10.1016/j.foodchem.2008.07.015 . [all data]

Zhao, Zeng, et al., 2009
Zhao, C.; Zeng, Y.; Wan, M.; Li, R.; Liang, Y.; Li, C.; Zeng, Z.; Chau, F.-T., Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods, J. Sep. Sci., 2009, 32, 4, 660-670, https://doi.org/10.1002/jssc.200800484 . [all data]

Cho, Abd El-Aty, et al., 2007
Cho, S.-K.; Abd El-Aty, A.M.; Choi, J.-H.; Kim, M.R.; Shim, J.H., Optimized conditions for the extraction of secondary volatile metabolites in Angelica roots by accelerated solvent extraction, J. Pharm. Biomed. Anal., 2007, 44, 5, 1154-1158, https://doi.org/10.1016/j.jpba.2007.03.011 . [all data]

Filippi, Lanfranchi, et al., 2006
Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J., Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica, J. Agric. Food Chem., 2006, 54, 17, 6308-6313, https://doi.org/10.1021/jf060752y . [all data]

Sawamura, Onishi, et al., 2006
Sawamura, M.; Onishi, Y.; Ikemoto, J.; Tu, N.T.M.; Phi, N.T.L., Characteristic odour components of bergamot (Citrus bergamia Risso) essential oil, Flavour Fragr. J., 2006, 21, 4, 609-615, https://doi.org/10.1002/ffj.1604 . [all data]

Wang, Kong, et al., 2006
Wang, P.; Kong, C.H.; Zhang, C.X., Chemical Composition and Antimicrobial Activity of the Essential Oil from Ambrosia trifida L., Molecules, 2006, 11, 7, 549-555, https://doi.org/10.3390/11070549 . [all data]

Asadipour, Mehrabani, et al., 2005
Asadipour, A.; Mehrabani, M.; Najafi, M.L., Volatile oil composition of Centaurea aucheri (DC.) wagenitz, DARU, 2005, 13, 3, 160-164. [all data]

Urdampilleta, Amat, et al., 2005
Urdampilleta, J.D.; Amat, A.G.; Bidau, C.J.; Koslobsky, N.K., Biosystematic and chemosystematic studies in five South Americal species of Conyza (Asteraceae), Bol. Soc. Argent. Bot., 2005, 40, 1-2, 101-107. [all data]

Thappa, Bakshi, et al., 2004
Thappa, R.K.; Bakshi, S.K.; Dhar, L.; Agarwal, S.G.; Kitchlu, S.; Kaul, M.K.; Suri, K.A., Significance of changed climatic factors on essential oil composition of Echinacea purpurea under subtropical conditions, Flavour Fragr. J., 2004, 19, 5, 452-454, https://doi.org/10.1002/ffj.1352 . [all data]

Orav, Kailas, et al., 2003
Orav, A.; Kailas, T.; Jegorova, A., Composition of the essential oil of dill, celery, and parsley from Estonia, Proc. Est. Acad. Sci. Chem., 2003, 52, 4, 147-154. [all data]

Stashenko, Jaramillo, et al., 2003
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R., Comparación de la composición química y de la actividad antioxidante in vitro de los metabolitos secundarios volátiles de plantas de la familia verbenaceae, Rev. Acad. Colomb. Cienc. Exactas Fis. Nat., 2003, 27, 105, 579-597. [all data]

Gudzic, Djokovic, et al., 2002
Gudzic, B.; Djokovic, D.; Vajs, V.; Palic, R.; Stojanovic, G., Composition and antimicrobial activity of the essential oil of Hypericum maculatum Crantz, Flavour Fragr. J., 2002, 17, 5, 392-394, https://doi.org/10.1002/ffj.1112 . [all data]

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 . [all data]

Orav and Kann, 2001
Orav, A.; Kann, J., Determination of peppermint and orange aroma compounds in food and beverages, Proc. Est. Acad. Sci. Chem., 2001, 50, 4, 217-225. [all data]

Yang, 2001
Yang, R., Analysis of the volatile components in peel oil of Yuzu by gas chromatography/mass spectrometry, Chin. J. Anal. Chem., 2001, 29, 3, 313-316. [all data]

Yang, 2001, 2
Yang, R., Volatile compounds in peel oil of Citrus sudachi, Food Sci. (Beijing), 2001, 22, 3, 71-73. [all data]

Choo, Wong, et al., 1999
Choo, L.-C.; Wong, S.-M.; Liew, K.-Y., Essential oil of nutmeg pericarp, J. Sci. Food Agric., 1999, 79, 13, 1954-1957, https://doi.org/10.1002/(SICI)1097-0010(199910)79:13<1954::AID-JSFA460>3.0.CO;2-I . [all data]

Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S., Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill), Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A . [all data]

Zoghbi, Andrade, et al., 1999
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S., Volatile constituents from leaves and flowers of Alpinia speciosa K. Schum. and A. purpurata (Viell.) Schum., Flavour Fragr. J., 1999, 14, 6, 411-414, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<411::AID-FFJ854>3.0.CO;2-U . [all data]

Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G., Supercritical carbon dioxide extraction of Angelica archangelica L. root oil, J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5 . [all data]

Kökdil, Kurucu, et al., 1998
Kökdil, G.; Kurucu, S.; Yildiz, A., Essential oil composition of Nepeta nuda L. ssp. nuda, Flavour Fragr. J., 1998, 13, 4, 233-234, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<233::AID-FFJ730>3.0.CO;2-7 . [all data]

Poiana, Sicari, et al., 1998
Poiana, M.; Sicari, V.; Mincione, B., Supercritical carbon dioxide (SC-CO₂) extraction of grapefruit flavedo, Flavour Fragr. J., 1998, 13, 2, 125-130, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<125::AID-FFJ708>3.0.CO;2-# . [all data]

Kökdil, Tanker, et al., 1997
Kökdil, G.; Tanker, M.; Kurucu, S.; Topcu, G., Essential oil analysis of Nepeta cilicia Boiss., Flavour Fragr. J., 1997, 12, 2, 99-101, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<99::AID-FFJ619>3.0.CO;2-# . [all data]

Zygadlo, Ariza-Espinar, et al., 1997
Zygadlo, J.A.; Ariza-Espinar, L.; Velasco-Negueruela, A.; Perez-Alonso, M.J., Volatile constituents of Stevia achalensis hieronymus, Flavour Fragr. J., 1997, 12, 4, 297-299, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<297::AID-FFJ625>3.0.CO;2-2 . [all data]

Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C., Characterization of volatile metabolites from 47 Penicillium taxa, Mycol. Res., 1995, 99, 10, 1153-1166, https://doi.org/10.1016/S0953-7562(09)80271-2 . [all data]

Demarne and van der Walt, 1993
Demarne, F.-E.; van der Walt, J.J.A., Composition of the Essential Oil of Pelargonium citronellum (Geraniaceae), J. Essent. Oil Res., 1993, 5, 3, 233-238, https://doi.org/10.1080/10412905.1993.9698214 . [all data]

Ronse and De Pooter, 1990
Ronse, A.C.; De Pooter, H.L., Essential Oil Production by Belgian Artemisia alba (Turra) before and after Micropropagation, J. Essent. Oil Res., 1990, 2, 5, 237-242, https://doi.org/10.1080/10412905.1990.9697873 . [all data]

Yang and Sugisawa, 1990
Yang, R.; Sugisawa, H., Citrus Suachi Hort. ex Shirai. Volatile components in Sudachi (Citrus Sudachi Hort. ex Shirai) juice, Nippon Shokuhin Kogyo Gakkaishi, 1990, 37, 12, 946-952, https://doi.org/10.3136/nskkk1962.37.12_946 . [all data]

Sugisawa, Yang, et al., 1989
Sugisawa, H.; Yang, R.H.; Kawabata, C.; Tamura, H., Volatile constituents in the peel oil of sudachi (Citrus sudachi), Agric. Biol. Chem., 1989, 53, 6, 1721-1723, https://doi.org/10.1271/bbb1961.53.1721 . [all data]

de Pooter, Nicolai, et al., 1988
de Pooter, H.L.; Nicolai, B.; De Laet, J.; De Buyck, L.F.; Schamp, N.M.; Goetghebeur, P., The Essential Oils of Five Nepeta Species. A Preliminary Evaluation of their Use in Chemotaxonomy by Cluster Analysis, Flavour Fragr. J., 1988, 3, 4, 155-159, https://doi.org/10.1002/ffj.2730030404 . [all data]

Nykanen, 1986
Nykanen, I., High Resolution Gas Chromatographic - Mass Spectrometric determination of the Flavour Composition of Wild Majoram (Origanum vulgare L.) Cultivated in Finland, Z. Lebensm Unters Forsch, 1986, 183, 4, 267-272, https://doi.org/10.1007/BF01087742 . [all data]

de Pooter, de Buyck, et al., 1986
de Pooter, H.L.; de Buyck, L.F.; Schamp, N.M.; Aboutabl, E.; De Bruyn, A.; Husain, S.Z., The Volatile Fraction of Senecio glaucus subsp. coronopifolius, Flavour Fragr. J., 1986, 1, 4-5, 159-163, https://doi.org/10.1002/ffj.2730010406 . [all data]

De Pooter and Schamp, 1986
De Pooter, H.L.; Schamp, N.M., Comparison of the Volatile Composition of Some Calamintha/Satureja Species, Prog. Essnt. Oil. Res., 1986, 139-150. [all data]

Buttery, Xu, et al., 1985
Buttery, R.G.; Xu, C.; Ling, L.C., Volatile components of wheat leaves (and stems): Possible insect attractants, J. Agric. Food Chem., 1985, 33, 1, 115-117, https://doi.org/10.1021/jf00061a033 . [all data]

Notes

Go To: Top, Normal alkane 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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