β-Elemol

Formula: C₁₅H₂₆O
Molecular weight: 222.3663
IUPAC Standard InChI: InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13+,15-/m0/s1
IUPAC Standard InChIKey: GFJIQNADMLPFOW-GUTXKFCHSA-N
CAS Registry Number: 32142-08-8
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- β-Elemol
Stereoisomers:
Information on this page:
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Gas Chromatography

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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	BP-1	1536.	Gonny, Cavaleiro, et al., 2006	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	BP-1	1537.	Gonny, Bradesi, et al., 2004	50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	BP-1	1534.	Tam, Thuam, et al., 2004	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	BP-20	2080.	Gonny, Cavaleiro, et al., 2006	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	BP-20	2081.	Gonny, Bradesi, et al., 2004	50. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	BP-20	2074.	Tam, Thuam, et al., 2004	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	RTX-1	1529.	Yapi, Boti, et al., 2012	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 45. min; T_start: 60. C
Capillary	CP Sil 5 CB	1540.	Baran, von Reuss, et al., 2007	30. m/0.32 mm/0.25 μm, N2, 4. K/min; T_start: 60. C; T_end: 300. C
Capillary	SPB-1	1543.	Wong, Lee, et al., 2005	50. m/0.2 mm/0.33 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min
Capillary	RTX-1	1536.	Lis, Boczek, et al., 2004	30. m/0.32 mm/0.25 μm, N2, 4. K/min; T_start: 60. C; T_end: 300. C
Capillary	DB-1	1530.	Salgueiro, Vila, et al., 1997	6. K/min; T_start: 80. C; T_end: 220. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1547.	Li, Deng, et al., 2006	30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 8C/min => 160C => 12C/min => 300C(5min)
Capillary	CP Sil 5 CB	1540.	Weyerstahl, Marschall, et al., 2000	Column length: 25. m; Program: not specified
Capillary	CP Sil 5 CB	1537.	Weyerstahl, Marschall, et al., 1999	He; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified
Capillary	CP Sil 5 CB	1539.	Weyerstahl, Marschall, et al., 1998	He; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified
Capillary	CP Sil 5 CB	1537.	Weyerstahl, Marschall, et al., 1997	N2; Column length: 25. m; Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	BP-20	2069.	Yapi, Boti, et al., 2012	50. m/0.22 mm/0.25 μm, Helium, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	DB-Wax	2091.	Choi, 2006	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	Innowax	2094.	Joichi, Yomogida, et al., 2005	60. m/0.25 mm/0.25 μm, He, 5. K/min, 240. C @ 30. min; T_start: 60. C
Capillary	DB-Wax	2103.	Njoroge, Koaze, et al., 2005	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	2070.	Tu, Onishi, et al., 2002	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	2088.	Tu, Thanh, et al., 2002	60. m/0.25 mm/0.25 μm, N2, 2. K/min; T_start: 70. C; T_end: 230. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2105.	Weyerstahl, Marschall, et al., 1999	He; Column length: 60. m; Phase thickness: 0.25 μm; Program: not specified
Capillary	DB-Wax	2091.	Weyerstahl, Marschall, et al., 1998	N2; Column length: 60. m; Phase thickness: 0.25 μm; Program: not specified

References

Go To: Top, Gas Chromatography, Notes

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]

Gonny, Bradesi, et al., 2004
Gonny, M.; Bradesi, P.; Casanova, J., Identification of the components of the essential oil from wild Corsican Daucus carota L. using ¹³C-NMR spectroscopy, Flavour Fragr. J., 2004, 19, 5, 424-433, https://doi.org/10.1002/ffj.1330 . [all data]

Tam, Thuam, et al., 2004
Tam, N.T.; Thuam, D.T.; Bighelli, A.; Castola, V.; Muselli, A.; Richomme, P.; Casanova, J., Baeckea frutescens leaf oil from Vietnam: composition and chemical variability, Flavour Fragr. J., 2004, 19, 3, 217-220, https://doi.org/10.1002/ffj.1281 . [all data]

Yapi, Boti, et al., 2012
Yapi, T.A.; Boti, J.B.; Attioua, B.K.; Ahibo, A.C.; Bighelli, A.; Casanova, J.; Tomi, F., Three new natural compounds from the root bark essential oil from Xylopia aethiopica, Phytochem. Anal., 2012, 1-6. [all data]

Baran, von Reuss, et al., 2007
Baran, S.; von Reuss, S.H.; König, W.A.; Kalemba, D., Composition of the essential oil of Abies koreana Wils., Flavour Fragr. J., 2007, 22, 1, 78-83, https://doi.org/10.1002/ffj.1762 . [all data]

Wong, Lee, et al., 2005
Wong, K.C.; Lee, B.C.; Lam, N.F.; Ibrahim, P., Essential oils of the rhizomes of Alpinia conchigera Griff. and Alpinia latilabris Ridl., Flavour Fragr. J., 2005, 20, 4, 431-433, https://doi.org/10.1002/ffj.1458 . [all data]

Lis, Boczek, et al., 2004
Lis, A.; Boczek, E.; Góra, J., Chemical composition of the essential oils from fruits, leaves and flowers of the Amur cork tree (Phellodendron amurense Rupr.), Flavour Fragr. J., 2004, 19, 6, 549-553, https://doi.org/10.1002/ffj.1349 . [all data]

Salgueiro, Vila, et al., 1997
Salgueiro, L.R.; Vila, R.; Tomi, F.; Figueiredo, A.C.; Barroso, J.G.; Cañigueral, S.; Casanova, J.; da Cunha, A.P.; Adzet, T., Variability of essential oils of Thymus caespititius from Portugal, Phytochemistry, 1997, 45, 2, 307-311, https://doi.org/10.1016/S0031-9422(96)00872-2 . [all data]

Li, Deng, et al., 2006
Li, N.; Deng, C.; Li, Y.; Ye, H.; Zhang, X., Gas chromatography-mass spectrometry following microwave distillation and headspace solid-phase microextraction for fast analysis of essential oil in dry traditional Chinese medicine, J. Chromatogr. A, 2006, 1133, 1-2, 29-34, https://doi.org/10.1016/j.chroma.2006.08.046 . [all data]

Weyerstahl, Marschall, et al., 2000
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Wolf, D.; Surburg, H., Constituents of Haitian vetiver oil, Flavour Fragr. J., 2000, 15, 6, 395-412, https://doi.org/10.1002/1099-1026(200011/12)15:6<395::AID-FFJ930>3.0.CO;2-9 . [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Son, P.T.; Giang, P.M., Constituents of Vietnamese pemou oil - a reinvestigation, Flavour Fragr. J., 1999, 14, 6, 409-410, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<409::AID-FFJ843>3.0.CO;2-B . [all data]

Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H., Constituents of commercial Labdanum oil, Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I . [all data]

Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Kaul, V.K., Constituents of the flower essential oil of Ageratina adenophora (Spreng.) K. et R. from India, Flavour Fragr. J., 1997, 12, 6, 387-396, https://doi.org/10.1002/(SICI)1099-1026(199711/12)12:6<387::AID-FFJ677>3.0.CO;2-F . [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]

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]

Njoroge, Koaze, et al., 2005
Njoroge, S.M.; Koaze, H.; Karanja, P.N.; Sawamura, M., Essential oil constituents of three varieties of Kenyan sweet oranges (Citrus sinensis), Flavour Fragr. J., 2005, 20, 1, 80-85, https://doi.org/10.1002/ffj.1377 . [all data]

Tu, Onishi, et al., 2002
Tu, N.T.M.; Onishi, Y.; Choi, H.-S.; Kondo, Y.; Bassore, S.M.; Ukeda, H.; Sawamura, M., Characteristic odor components of Citrus sphaerocarpa Tanaka (Kabosu) cold-pressed peel oil, J. Agric. Food Chem., 2002, 50, 10, 2908-2913, https://doi.org/10.1021/jf011578a . [all data]

Tu, Thanh, et al., 2002
Tu, N.T.M.; Thanh, L.X.; Une, A.; Ukeda, H.; Sawamura, M., Volatile constituents of Vietnamese pummelo, orange, tangerine and lime peel oils, Flavour Fragr. J., 2002, 17, 3, 169-174, https://doi.org/10.1002/ffj.1076 . [all data]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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