1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-

Formula: C₁₅H₂₆O
Molecular weight: 222.3663
IUPAC Standard InChI: InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+
IUPAC Standard InChIKey: FQTLCLSUCSAZDY-SDNWHVSQSA-N
CAS Registry Number: 40716-66-3
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Species with the same structure:
- β-Nerolidol
- β-Nerolidol
Stereoisomers:
Other names: (.+/-.)-trans-Nerolidol; (6E)-Nerolidol; E-Nerolidol; Nerolidol, E-; Nerolidol, trans; trans-Nerolidol; trans-3,7,11-Trimethyl-dodeca-1,6,10-trien-3-ol; 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol, (E)-; α-Nerolidol; trans-β-Nerolidol; Trans-(E)-Nerolidol; (E)-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
Options:
- Switch to SI units

Normal alkane RI, 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	Supelcowax	RTX-Wax	Carbowax	CP-Wax 52CB	Carbowax 20M
Column length (m)	60.	60.	60.	30.	25.
Carrier gas	Nitrogen	Helium	He	He	Helium
Substrate
Column diameter (mm)	0.35	0.22	0.2	0.32	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.40
T_start (C)	60.	60.	60.	40.	60.
T_end (C)	230.	230.	250.	220.	260.
Heat rate (K/min)	4.	2.	2.	3.	5.
Initial hold (min)			8.	1.
Final hold (min)	40.	30.	15.	2.	40.
I	2039.	2031.	2008.	2075.	2050.
Reference	Gauvin-Bialecki and Marodon, 2009	Museli, Pau, et al., 2009	Ferhat, Tigrine-Kordjani, et al., 2007	Hymete, Rohloff, et al., 2007	Kafkas and Paydas, 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	TC-FFAP	Carbowax 20M	Supelcowax-10	Supelcowax-10	DB-Wax
Column length (m)		30.	30.	30.	60.
Carrier gas	He	He			He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	60.	60.	40.	40.	60.
T_end (C)	220.	230.	210.	250.	180.
Heat rate (K/min)	3.	3.	2.	2.	3.
Initial hold (min)					8.
Final hold (min)	30.		33.	33.	80.
I	2052.	2020.	2053.	2053.	2033.
Reference	Kurose, Okamura, et al., 2007	Limberger, Scopel, et al., 2007	Sylvestre, Longtin, et al., 2007	Sylvestre, Pichette, et al., 2007	Wei A. and Shibamoto T., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	BP-20	DB-Wax	Supelcowax-10	CP-Wax 52CB	DB-Wax
Column length (m)	50.	60.	30.	30.	60.
Carrier gas		N2		He
Substrate
Column diameter (mm)	0.22	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.	70.	40.	60.	70.
T_end (C)	220.	230.	210.	220.	230.
Heat rate (K/min)	2.	2.	2.	3.3	2.
Initial hold (min)		2.	2.	7.	2.
Final hold (min)	20.	20.	33.	3.	20.
I	2040.	2022.	2054.	2009.	2052.
Reference	Boti, Yao, et al., 2006	Choi, 2006	Garneau F.X., Collin G., et al., 2006	Hymete, Rohloff, et al., 2006	Lan Phi N.T., Nishiyama C., et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	BP-20	Supelcowax	NB-20M	DB-Wax Etr
Column length (m)	60.	50.	30.	30.	30.
Carrier gas		He	N2	He	He
Substrate
Column diameter (mm)	0.25	0.22	0.32	0.2	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	70.	60.	50.	50.	40.
T_end (C)	230.	220.	200.	250.	220.
Heat rate (K/min)	2.	2.	5.	2.	2.
Initial hold (min)	2.				1.
Final hold (min)	20.	20.			10.
I	2051.	2046.	2050.	2040.	2007.
Reference	Lan Phi N.T., Nishiyama C., et al., 2006	Lesueur, Ban, et al., 2006	Martin, Joseph, et al., 2006	Orav, Raal, et al., 2006	Perestrelo, Fernandes, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax-10	HP-Innowax	Innowax	Supelcowax-10	ZB-Wax
Column length (m)	30.	30.	60.	30.	30.
Carrier gas	He	He	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.17	0.25	0.25	0.25
T_start (C)	50.	60.	60.	50.	40.
T_end (C)	220.	210.	240.	220.	250.
Heat rate (K/min)	4.	4.	5.	4.	5.
Initial hold (min)	1.	3.		3.	2.
Final hold (min)	10.	15.	30.	30.	10.
I	2045.	2044.	2074.	2033.	2028.
Reference	Wong, Lim, et al., 2006	Ferretti, Maggi, et al., 2005	Joichi, Yomogida, et al., 2005	Wong, Lee, et al., 2005	Wu, Krings, et al., 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	BP-20	DB-Wax	DB-Wax	Carbowax 20M
Column length (m)	30.	50.	60.	60.	30.
Carrier gas	He		N2	N2	He
Substrate
Column diameter (mm)	0.25	0.22	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
T_start (C)	90.	60.	70.	70.	60.
T_end (C)	220.	220.	230.	230.	250.
Heat rate (K/min)	7.	2.	2.	2.	3.
Initial hold (min)	2.		2.	2.
Final hold (min)	5.	20.	20.	20.
I	2056.	2032.	2049.	2015.	2025.
Reference	Agnihotri, Thappa, et al., 2004	Blanc, Muselli, et al., 2004	Choi, 2004	Choi, 2004, 2	Lago, de Ávila, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Supelcowax-10	Innowax FSC	Supelcowax-10	Supelcowax-10	SW-10
Column length (m)	30.	60.	50.	50.	50.
Carrier gas		Helium	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.2	0.20
Phase thickness (μm)	0.25		0.25	0.25	0.25
T_start (C)	40.	60.	70.	70.	50.
T_end (C)	210.	220.	230.	230.	230.
Heat rate (K/min)	2.	4.	2.	2.	2.
Initial hold (min)	2.	10.
Final hold (min)	33.
I	2051.	2050.	2033.	2035.	2035.
Reference	Lopez Arze, Collin, et al., 2004	Lourens, Reddy, et al., 2004	Orav, Stulova, et al., 2004	Orav, Stulova, et al., 2004	Raal, Paaver, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-20M	DB-Wax	Supelcowax-10	HP-Innowax	HP-Innowax
Column length (m)	50.	60.	30.	50.	50.
Carrier gas	He	Helium	N2
Substrate
Column diameter (mm)	0.2	0.25	0.25	0.2	0.2
Phase thickness (μm)	0.2		0.25	0.2	0.2
T_start (C)	70.	70.	40.	50.	50.
T_end (C)	180.	210.	230.	220.	220.
Heat rate (K/min)	4.	2.	2.	4.	4.
Initial hold (min)	4.			5.	5.
Final hold (min)	10.	60.
I	1991.	2038.	2040.	2040.	2035.
Reference	Juteau, Jerkovic, et al., 2003	Mookdasanit, Tamura, et al., 2003	Rotman, Ahumada, et al., 2003	Stashenko, Jaramillo, et al., 2003	Stashenko, Jaramillo, et al., 2003
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Innowax	DB-Wax	DB-Wax	Carbowax 20M	DB-Wax
Column length (m)	60.	60.	60.	30.	60.
Carrier gas	He	N2	H2	He	N2
Substrate
Column diameter (mm)	0.25	0.25	0.32	0.25	0.25
Phase thickness (μm)		0.25	0.25	0.325	0.25
T_start (C)	60.	70.	40.	50.	70.
T_end (C)	220.	230.	245.	215.	230.
Heat rate (K/min)	4.	2.	1.5	4.	2.
Initial hold (min)	10.	2.
Final hold (min)	10.	20.	20.	20.
I	2050.	2033.	2005.	2000.	2042.
Reference	Suleimenov, Atazharova, et al., 2003	Tu, Onishi, et al., 2003	Gancel, Ollé, et al., 2002	Kasali, Winterhalter, et al., 2002	Tu, Thanh, et al., 2002
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	PEG-20M	BP-20	DB-Wax
Column length (m)	60.	60.	50.	25.	60.
Carrier gas	He	He	He	Nitrogen	He
Substrate
Column diameter (mm)	0.25	0.25	0.2	0.50	0.25
Phase thickness (μm)	0.25	0.25		0.25	0.25
T_start (C)	40.	45.	70.	60.	40.
T_end (C)	200.	240.	250.	200.	200.
Heat rate (K/min)	2.	3.	2.	5.	2.
Initial hold (min)	2.				2.
Final hold (min)
I	2029.	2042.	2035.	2011.	2041.
Reference	Umano, Hagi, et al., 2002	Christoph, 2001	Orav, Kailas, et al., 2001	Mallavarapu, Rao, et al., 2000	Umano, Hagi, et al., 2000
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Innowax	HP-Innowax	HP-Innowax	BP-20	DB-Wax
Column length (m)	60.	60.	60.	25.	60.
Carrier gas	He	He	He	N2	N2
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.5
Phase thickness (μm)	0.25	0.25	0.25		0.25
T_start (C)	60.	60.	60.	60.	60.
T_end (C)	220.	220.	220.	200.	220.
Heat rate (K/min)				5.	5.
Initial hold (min)	10.	10.	10.
Final hold (min)
I	2053.	2053.	2053.	2041.	2032.
Reference	Kaya, Baser, et al., 1999	Kaya, Baser, et al., 1999, 2	Kaya, Baser, et al., 1999, 2	Rao, Bhattacharya, et al., 1999	Weyerstahl, Marschall, et al., 1999
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-Innowax	HP-Innowax FSC	PEG-20M	PEG-20M	Supelcowax-10
Column length (m)	60.	60.	60.	60.	30.
Carrier gas	He	He	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.25	0.25
Phase thickness (μm)	0.25	0.25
T_start (C)	50.	60.	70.	70.	60.
T_end (C)	220.	220.	210.	220.	240.
Heat rate (K/min)	5.	4.	3.	3.	4.
Initial hold (min)	5.	10.
Final hold (min)		10.
I	2008.	2053.	2039.	2039.	2043.
Reference	Stashenko, Cervantes, et al., 1998	Tümen, Baser, et al., 1998	Awano, Honda, et al., 1997	Awano, Ichikawa, et al., 1997	Zunino, Novillo-Newton, et al., 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary
Active phase	DB-Wax	Carbowax 20M	DB-Wax
Column length (m)	60.	45.	60.
Carrier gas	He	Hydrogen	H2
Substrate
Column diameter (mm)	0.25	0.32	0.25
Phase thickness (μm)	0.25	1.0	0.25
T_start (C)	50.	60.	50.
T_end (C)	180.	200.	238.
Heat rate (K/min)	2.5	2.	4.
Initial hold (min)	5.	5.
Final hold (min)			13.
I	2008.	2040.	2044.
Reference	Stashenko, Torres, et al., 1995	Kollmannsberger, Nitz, et al., 1992	van Beek, Kleis, et al., 1989
Comment	MSDC-RI	MSDC-RI	MSDC-RI

References

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

Gauvin-Bialecki and Marodon, 2009
Gauvin-Bialecki, A.; Marodon, C., Essential oil of Ayapana triplinervis from Reunion island: a good natural source of thymohydroquinone dimethyl ether, Biochem. Systematics Ecol., 2009, 36, 11, 853-858, https://doi.org/10.1016/j.bse.2008.09.006 . [all data]

Museli, Pau, et al., 2009
Museli, A.; Pau, M.; Desjobert, J.-M.; Foddai, M.; Usai, M.; Costa, J., Volatile constituents of Achllea ligustica All. by HS-SPME/GC/GC-MS. Comparison with essential oils obtained by hydrodistillation from Corsica and Sardinia, Chromatographia, 2009, 69, 5/6, 575-585, https://doi.org/10.1365/s10337-008-0939-1 . [all data]

Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F., Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device, Chromatographia, 2007, 65, 3-4, 217-222, https://doi.org/10.1365/s10337-006-0130-5 . [all data]

Hymete, Rohloff, et al., 2007
Hymete, A.; Rohloff, J.; Iversen, T.-H.; Kjosen, H., Volatile constituents of the roots of Echinops kebericho Mesfin, Flavour Fragr. J., 2007, 22, 1, 35-38, https://doi.org/10.1002/ffj.1746 . [all data]

Kafkas and Paydas, 2007
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Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M., Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species, Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609 . [all data]

Limberger, Scopel, et al., 2007
Limberger, R.P.; Scopel, M.; Sobral, M.; Henriques, A.T., Comparative analysis of volatiles from Drimys brasiliensis Miers and D. angustifolia Miers (Winteraceae) from Southern Brazil, Biochem. Syst. Ecol., 2007, 35, 3, 130-137, https://doi.org/10.1016/j.bse.2006.09.007 . [all data]

Sylvestre, Longtin, et al., 2007
Sylvestre, M.; Longtin, A.P.A.; Legault, J., Volatile leaf condtituents and anticancer activity of Bursera simaruba (L.) Sarg. essential oil, Natural Product Communications, 2007, 2, 12, 1273-1276. [all data]

Sylvestre, Pichette, et al., 2007
Sylvestre, M.; Pichette, A.; Longtin, A.; Martin, M.-A.C.; Bercion, S.R.; Legault, J., Chemical composition of leaf essential oil of Hedyosmum arborescens and evaluation of its anticancer activity, Natural Product Communications, 2007, 2, 12, 1269-1272. [all data]

Wei A. and Shibamoto T., 2007
Wei A.; Shibamoto T., Antioxidant activities and volatile constituents of various essential oils, J. Agric. Food Chem., 2007, 55, 5, 1737-1742, https://doi.org/10.1021/jf062959x . [all data]

Boti, Yao, et al., 2006
Boti, J.B.; Yao, P.A.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J., Components and chemical variability of Isolona campanulata Engler Diels leaf oil, Flavour Fragr. J., 2006, 21, 1, 166-170, https://doi.org/10.1002/ffj.1555 . [all data]

Choi, 2006
Choi, H.-S., Headspace analyses of fresh leaves and stems of Angelica gigas Nakai, a Korean medicinal herb, Flavour Fragr. J., 2006, 21, 4, 604-608, https://doi.org/10.1002/ffj.1602 . [all data]

Garneau F.X., Collin G., et al., 2006
Garneau F.X.; Collin G.; Gagnon H.; Jean F.I.; Strobl H.; Pichette A., The essential oil composition of Devil's Club, Oplopanax horridus J. E. Smith Miq., Flavour Fragr. J., 2006, 21, 5, 792-794, https://doi.org/10.1002/ffj.1716 . [all data]

Hymete, Rohloff, et al., 2006
Hymete, A.; Rohloff, J.; Iversen, T.-H., Essential oil from seeds and husks of Aframomum corrorima from Ethiopia, Flavour Fragr. J., 2006, 21, 4, 642-644, https://doi.org/10.1002/ffj.1634 . [all data]

Lan Phi N.T., Nishiyama C., et al., 2006
Lan Phi N.T.; Nishiyama C.; Choi H.-S.; Sawamura M., Evaluation of aroma characteristic compounds of Citrus natsudaidai Hayata (Natsudaidai) cold-pressed peel oil, Biosci. Biotechnol. Biochem., 2006, 70, 8, 1832-1838, https://doi.org/10.1271/bbb.50705 . [all data]

Lesueur, Ban, et al., 2006
Lesueur, D.; Ban, N.K.; Bighelli, A.; Muselli, A.; Casanova, J., Analysis of the root oil of Fokienia hodginsii (Dunn) Henry et Thomas (Cupressaceae) by GC, GC-MS and ¹³C-NMR, Flavour Fragr. J., 2006, 21, 1, 171-174, https://doi.org/10.1002/ffj.1557 . [all data]

Martin, Joseph, et al., 2006
Martin, M.A.C.K.; Joseph, H.; Bercion, S.; Menut, C., Chemical composition of essential oils from aerial parts of Aframomum exscapum (Sims) Hepper collected in Guadeloupe, French West Indies, Flavour Fragr. J., 2006, 21, 6, 902-905, https://doi.org/10.1002/ffj.1741 . [all data]

Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T., Composition of the essential oil of Artemisia absinthium L. of different geographical origin, Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]

Perestrelo, Fernandes, et al., 2006
Perestrelo, R.; Fernandes, A.; Albuquerque, F.F.; Marques, J.C.; Camara, J.S., Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds, Anal. Chim. Acta., 2006, 563, 1-2, 154-164, https://doi.org/10.1016/j.aca.2005.10.023 . [all data]

Wong, Lim, et al., 2006
Wong, K.C.; Lim, T.B.; Ali, D.M.H., Essential oil of Homalomena sagittifolia Jungh., Flavour Fragr. J., 2006, 21, 5, 786-788, https://doi.org/10.1002/ffj.1714 . [all data]

Ferretti, Maggi, et al., 2005
Ferretti, G.; Maggi, F.; Tirillini, B., Essential oil composition of Hypericum richeri Vill. from Italy, Flavour Fragr. J., 2005, 20, 3, 295-298, https://doi.org/10.1002/ffj.1412 . [all data]

Joichi, Yomogida, et al., 2005
Joichi, A.; Yomogida, K.; Awano, K.; Ueda, Y., Volatile components of tea-scented modern roses and ancient Chinese roses, Flavour Fragr. J., 2005, 20, 2, 152-157, https://doi.org/10.1002/ffj.1388 . [all data]

Wong, Lee, et al., 2005
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Wu, Krings, et al., 2005
Wu, S.; Krings, U.; Zorn, H.; Berger, R.G., Volatile compounds from the fruiting bodies of beefsteak fungus Fistulina hepatica (Schaeffer: Fr.) Fr., Food Chem., 2005, 92, 2, 221-226, https://doi.org/10.1016/j.foodchem.2004.07.013 . [all data]

Agnihotri, Thappa, et al., 2004
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Blanc, Muselli, et al., 2004
Blanc, M.-C.; Muselli, A.; Bradesi, P.; Casanova, J., Chemical composition and variability of the essential oil of Inula graveolens from Corsica, Flavour Fragr. J., 2004, 19, 4, 314-319, https://doi.org/10.1002/ffj.1304 . [all data]

Choi, 2004
Choi, H.-S., Volatile constituents of satsuma mandarins growing in Korea, Flavour Fragr. J., 2004, 19, 5, 406-412, https://doi.org/10.1002/ffj.1283 . [all data]

Choi, 2004, 2
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]

Lago, de Ávila, et al., 2004
Lago, J.H.G.; de Ávila, P., Jr.; de Aquino, E.M.; Moreno, P.R.H.; Ohara, M.T.; Limberger, R.P.; Apel, M.A.; Henriques, A.T., Volatile oils from leaves and stem barks of Cedrela fissilis (Meliaceae): chemical composition and antibacterial activities, Flavour Fragr. J., 2004, 19, 5, 448-451, https://doi.org/10.1002/ffj.1347 . [all data]

Lopez Arze, Collin, et al., 2004
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Lourens, Reddy, et al., 2004
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Christoph, 2001
Christoph, F., Chemische Zuzammensetzung und antimikrobielle Eigenschaften der ätherischen Öle von Leptospermum scoparium J. R. et G. Forst. und anderer Teebaumöle der Gattungen Kunzea, Leptospermum und Melaleuca unter besonderer Berücksichtigung von Handelsölen, Dissertation, University of Hamburg, Germany, 2001, 196. [all data]

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Notes

Go To: Top, Normal alkane RI, 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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