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
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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	HP-5MS	HP-101	HP-5MS	HP-5	HP-5
Column length (m)	30.	25.	30.	30.	25.
Carrier gas	He	He	H2	N2	He
Substrate
Column diameter (mm)	0.25	0.2	0.25	0.25	0.2
Phase thickness (μm)	0.25	0.2	0.25	0.25	0.33
T_start (C)	60.	70.	50.	60.	60.
T_end (C)	250.	200.	285.	220.	240.
Heat rate (K/min)	2.	3.	4.3	5.	3.
Initial hold (min)	8.	2.		10.
Final hold (min)	30.	15.			7.
I	1459.	1452.	1455.	1439.	1454.
Reference	Benkaci-Ali, Baaliouamer, et al., 2007	Politeo, Jukic, et al., 2007	Vujisic L., Vuckovic I., et al., 2006	Bertoli, Menichini, et al., 2004	Sartoratto, Machado, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	SPB-5	OV-1	DB-1	OV-101
Column length (m)	50.	30.	25.	60.	50.
Carrier gas	He	He	H2		N2
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.32	0.25
Phase thickness (μm)	0.2	0.25	0.3	0.5
T_start (C)	35.	60.	50.	40.	80.
T_end (C)	250.	250.	200.	290.	200.
Heat rate (K/min)	3.	4.	3.	4.	2.
Initial hold (min)	15.	2.	1.	2.
Final hold (min)	40.	20.	20.	5.
I	1460.	1458.	1446.	1443.	1449.
Reference	Stashenko, Jaramillo, et al., 2004	Pino, Marbot, et al., 2002	Bicchi, Fresia, et al., 1997	Bartley and Foley, 1994	Yang, Sugisawa, et al., 1992
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	OV-101
Column length (m)	50.
Carrier gas	N2
Substrate
Column diameter (mm)	0.25
Phase thickness (μm)
T_start (C)	80.
T_end (C)	200.
Heat rate (K/min)	2.
Initial hold (min)
Final hold (min)
I	1449.
Reference	Yang, Sugisawa, et al., 1992
Comment	MSDC-RI

References

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

Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F., Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation, Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773 . [all data]

Politeo, Jukic, et al., 2007
Politeo, O.; Jukic, M.; Milos, M., Chemical composition and antioxidant capacity of free volatile aglycones from basil (Ocimum basilicum L.) compared with its essential oil, Food Chem., 2007, 101, 1, 379-385, https://doi.org/10.1016/j.foodchem.2006.01.045 . [all data]

Vujisic L., Vuckovic I., et al., 2006
Vujisic L.; Vuckovic I.; Tesevic V.; Dokovic D.; Ristic M.S.; Janackovic P.; Milosavljevic S., Comparative examination of the essential oils of Anthemis ruthenica and A-arvensis wild-growing in Serbia, Flavour Fragr. J., 2006, 21, 3, 458-461, https://doi.org/10.1002/ffj.1681 . [all data]

Bertoli, Menichini, et al., 2004
Bertoli, A.; Menichini, F.; Noccioli, C.; Morelli, I.; Pistelli, L., Volatile constituents of different organs of Psoralea bituminosa L., Flavour Fragr. J., 2004, 19, 2, 166-171, https://doi.org/10.1002/ffj.1315 . [all data]

Sartoratto, Machado, et al., 2004
Sartoratto, A.; Machado, A.L.M.; Delarmelina, C.; Figueira, G.M.; Duarte, M.C.T.; Rehder, V.L.G., Composition and antimicrobial activity of essential oils from aromatic plants used in Brazil, Braz. J. Microbiol., 2004, 35, 4, 275-280, https://doi.org/10.1590/S1517-83822004000300001 . [all data]

Stashenko, Jaramillo, et al., 2004
Stashenko, E.E.; Jaramillo, B.E.; Martínez, J.R., Comparison of different extraction methods for the analysis of volatile secondary metabolites of Lippia alba (Mill.) N.E. Brown, grown in Colombia, and evaluation of its in vitro antioxidant activity, J. Chromatogr. A, 2004, 1025, 1, 93-103, https://doi.org/10.1016/j.chroma.2003.10.058 . [all data]

Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A., Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba, Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116 . [all data]

Bicchi, Fresia, et al., 1997
Bicchi, C.; Fresia, M.; Rubiolo, P.; Monti, D.; Franz, C.; Goehler, I., Constituents of Tagetes lucida Cav. ssp. lucida essential oil, Flavour Fragr. J., 1997, 12, 1, 47-52, https://doi.org/10.1002/(SICI)1099-1026(199701)12:1<47::AID-FFJ610>3.0.CO;2-7 . [all data]

Bartley and Foley, 1994
Bartley, J.P.; Foley, P., Supercritical fluid extraction of Australian-grown ginger (Zingiber officinale), J. Sci. Food Agric., 1994, 66, 3, 365-371, https://doi.org/10.1002/jsfa.2740660314 . [all data]

Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N., Comparison of odor quality in peel oils of acid citrus, Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16 . [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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