5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-, (E,E)-
- Formula: C18H30O
- Molecular weight: 262.4302
- IUPAC Standard InChI: InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
- IUPAC Standard InChIKey: LTUMRKDLVGQMJU-IUBLYSDUSA-N
- CAS Registry Number: 1117-52-8
- 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. - Stereoisomers:
- Other names: Farnesyl acetone; 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethhyl-, [E,E]; (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one; (E,E)-5,9-Farnesyl acetone; (E,E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5 | OV-1 | HP-5 | HP-5 MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 50. | 60. | 70. |
| Tend (C) | 250. | 300. | 250. | 240. | 290. |
| Heat rate (K/min) | 5. | 50. | 5. | 3. | 5. |
| Initial hold (min) | 0.5 | 5. | 3. | 2. | |
| Final hold (min) | 0.5 | 5. | 2. | 10. | |
| I | 1881. | 1886. | 1893. | 1917. | 1921. |
| Reference | Fanaro, Duarte, et al., 2012 | Bi Kouame, Bedi, et al., 2010 | Hu, Liang, et al., 2010 | Kahriman, Tosun, et al., 2010 | Radulovic, Blagojevic, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 MS | HP-5 MS | HP-5MS | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | He | Helium |
| 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 |
| Tstart (C) | 50. | 50. | 50. | 60. | 40. |
| Tend (C) | 220. | 280. | 240. | 250. | 260. |
| Heat rate (K/min) | 4. | 4. | 3. | 2. | 4. |
| Initial hold (min) | 2. | 8. | |||
| Final hold (min) | 2. | 15. | |||
| I | 1892. | 1919. | 1933. | 1911. | 1911. |
| Reference | Xu, Tang, et al., 2010 | Zhao, Zeng, et al., 2009 | Sarikurkcu, Tepe, et al., 2008 | Ferhat, Tigrine-Kordjani, et al., 2007 | Ristic, Krivokuca-Dokic, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PE-5 | HP-5 MS | HP-5 | HP-5 | Optima-1 |
| Column length (m) | 50. | 30. | 60. | 30. | 25. |
| Carrier gas | He | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 100. | 60. | 30. | 60. | 50. |
| Tend (C) | 280. | 250. | 260. | 260. | 250. |
| Heat rate (K/min) | 3. | 2. | 2. | 5. | 3. |
| Initial hold (min) | 1. | 8. | 2. | 2. | 3. |
| Final hold (min) | 15. | 28. | 13. | ||
| I | 1930. | 1911. | 1922.4 | 1919. | 1895. |
| Reference | Pandey-Rai S., Mallavarapu G.R., et al., 2006 | Tigrine-Kordiani, Meklati, et al., 2006 | Leffingwell and Alford, 2005 | Yayli, Yasar, et al., 2005 | Brun, Bessière, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Optima-1 |
| Column length (m) | 25. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.20 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 50. |
| Tend (C) | 250. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 3. |
| Final hold (min) | |
| I | 1895. |
| Reference | de Beck, Bessière, et al., 2000 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fanaro, Duarte, et al., 2012
Fanaro, G.B.; Duarte, R.C.; Santillo, A.G.; Pinto e Silva, M.E.M.; Purgatto, E.; Villavicento, A.L.C.H.,
Evaluation of γ-radiation on oolong tea odor volatiles,
Radiation Phys. Chem., 2012, 81, 8, 1152-1156, https://doi.org/10.1016/j.radphyschem.2011.11.061
. [all data]
Bi Kouame, Bedi, et al., 2010
Bi Kouame, F.P.; Bedi, G.; Koffi, A.M.; Chalchat, J.C.; Guessan, T.Y.N.,
Volatile constituents from leaves of Morinda morindoides (Rubiaceae): a medicinal plant from the Ivory Coast,
The Open Nat. Prod. J., 2010, 3, 1, 6-9, https://doi.org/10.2174/1874848101003010006
. [all data]
Hu, Liang, et al., 2010
Hu, C.-D.; Liang, Y.-Z.; Guo, F.-Q.; Li, X.-R.; Wang, W.-P.,
Determination of essential oil composition from Osmanthus fragrans tea by GC-MS combined with a chemometric resolution method,
Molecules, 2010, 15, 5, 3683-3693, https://doi.org/10.3390/molecules15053683
. [all data]
Kahriman, Tosun, et al., 2010
Kahriman, N.; Tosun, G.; Genc, H.; Yayli, N.,
Comparative essential oil analysis of Geranium sylvaticum estracted by hydrodistillation and microwave distillation,
Turk. J. Chem., 2010, 34, 969-976. [all data]
Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [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]
Sarikurkcu, Tepe, et al., 2008
Sarikurkcu, C.; Tepe, B.; Daferera, D.; Polissiou, M.; Harmandar, M.,
Studies on the anioxidant activity of the essential oil and methanol extract of Marrubium globosum subsp. globosum (lamiaceae) by three different chemical assays,
Bioresource Technol., 2008, 99, 10, 4239-4246, https://doi.org/10.1016/j.biortech.2007.08.058
. [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]
Ristic, Krivokuca-Dokic, et al., 2007
Ristic, M.; Krivokuca-Dokic, D.; Radanovic, D.; Nastovski, T.,
Etarsko ulje Arnica montata i Arnica chamissonis,
Hem. Ind., 2007, 61, 5, 272-277, https://doi.org/10.2298/HEMIND0704272R
. [all data]
Pandey-Rai S., Mallavarapu G.R., et al., 2006
Pandey-Rai S.; Mallavarapu G.R.; Naqvi A.A.; Yadav A.; Rai S.K.; Srivastava S.; Singh D.; Mishra R.; Kumar S.,
Volatile components of leaves and flowers of periwinkle Catharanthus roseus (L.) G. Don from New Delhi,
Flavour Fragr. J., 2006, 21, 3, 427-430, https://doi.org/10.1002/ffj.1606
. [all data]
Tigrine-Kordiani, Meklati, et al., 2006
Tigrine-Kordiani, N.; Meklati, B.Y.; Chemat, F.,
Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria,
Int. J. Aromatherapy, 2006, 16, 3-4, 187-191, https://doi.org/10.1016/j.ijat.2006.09.008
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
Yayli, Yasar, et al., 2005
Yayli, N.; Yasar, A.; Gülec, C.; Usta, A.; Kolayli, S.; Coskuncelebi, K.; Karaoglu, S.,
Composition and antimicrobial activity of essential oils from Centaurea sessilis and Centaurea armena,
Phytochemistry, 2005, 66, 14, 1741-1745, https://doi.org/10.1016/j.phytochem.2005.04.006
. [all data]
Brun, Bessière, et al., 2001
Brun, G.; Bessière, J.-M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile components of Catharanthus roseus (L.) G. Don (Apocynaceae),
Flavour Fragr. J., 2001, 16, 2, 116-119, https://doi.org/10.1002/ffj.958
. [all data]
de Beck, Bessière, et al., 2000
de Beck, P.O.; Bessière, J.M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile constituents from leaves and wood of Leea guineensis G. Don (Leeaceae) from Cameroon,
Flavour Fragr. J., 2000, 15, 3, 182-185, https://doi.org/10.1002/1099-1026(200005/06)15:3<182::AID-FFJ888>3.0.CO;2-X
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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