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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 156075 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1927. | Palic, Stojanovic, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 50 C 20 C/min -> 70 C 9 C/min -> 280 C |
| Capillary | HP-5 | 1927. | Stojanovic, Palic, et al., 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 50 0C 20 K/min -> 70 0C 9 K/min -> 280 0C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1915. | Javidnia, Miri, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | HP-5MS | 1915. | Kukic J., Petrovic S., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5MS | 1918. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5MS | 1919.8 | Zhao C.X., Li, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
| Capillary | HP-5MS | 1914. | Grujic-Jovanovic, Skaltsa, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1919. | Fokialakis, Melliou, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1918. | Karioti, Skaltsa, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1914. | Skaltsa, Demetzos, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2363. | Mau, Ko, et al., 2003 | 60. m/0.25 mm/0.25 μm, N2, 2. K/min, 210. C @ 40. min; Tstart: 40. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1881. | Fanaro, Duarte, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 0.5 min, 5. K/min, 250. C @ 0.5 min |
| Capillary | HP-5 | 1886. | Bi Kouame, Bedi, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 50. K/min, 300. C @ 5. min |
| Capillary | OV-1 | 1893. | Hu, Liang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 2. min |
| Capillary | HP-5 | 1917. | Kahriman, Tosun, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium, 60. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | HP-5 MS | 1921. | Radulovic, Blagojevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
| Capillary | DB-1 | 1892. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min |
| Capillary | HP-5 MS | 1919. | Zhao, Zeng, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 50. C; Tend: 280. C |
| Capillary | HP-5 MS | 1933. | Sarikurkcu, Tepe, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 50. C; Tend: 240. C |
| Capillary | HP-5MS | 1911. | Ferhat, Tigrine-Kordjani, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | HP-5 | 1911. | Ristic, Krivokuca-Dokic, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | PE-5 | 1930. | Pandey-Rai S., Mallavarapu G.R., et al., 2006 | 50. m/0.32 mm/0.25 μm, He, 100. C @ 1. min, 3. K/min; Tend: 280. C |
| Capillary | HP-5 MS | 1911. | Tigrine-Kordiani, Meklati, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | HP-5 | 1922.4 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
| Capillary | HP-5 | 1919. | Yayli, Yasar, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 5. K/min, 260. C @ 13. min |
| Capillary | Optima-1 | 1895. | Brun, Bessière, et al., 2001 | 25. m/0.20 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; Tend: 250. C |
| Capillary | Optima-1 | 1895. | de Beck, Bessière, et al., 2000 | 25. m/0.20 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SLB-5 MS | 1913. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SLB-5 MS | 1916. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 | 1919. | Kahriman, Tosun, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-1 | 1914. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 MS | 1924. | Zellner, Amorim, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 32 0C (1 min) 50 0C/min -> 115 0C 1.5 0C/min -> 145 0C 12 0C/min -> 240 0C (10 min) |
| Capillary | DB-5 | 1927. | Nivinsliene, Butkiene, et al., 2007 | 50. m/0.32 mm/0.25 μm, Helium; Program: 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C |
| Capillary | HP-5 | 1927. | Ristic, Krivokuca-Dokic, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax | 2376. | Ferhat, Tigrine-Kordjani, et al., 2007 | 60. m/0.2 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | Carbowax-PEG | 2376. | Tigrine-Kordiani, Meklati, et al., 2006 | 60. m/0.20 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | HP Innowax FSP | 2384. | Kaya, Baser, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 60. C @ 10. min, 220. C @ 10. min |
| Capillary | Innowax | 2384. | Kaya, Baser, et al., 1999, 2 | 60. m/0.25 mm/0.25 μm, He, 60. C @ 10. min; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 2384. | Duman, Kartal, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 2386. | Sezik E., Kocakulak E., et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 2384. | Baser, Özek, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 2386. | Demirci, Baser, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 2386. | Erdemoglu, Sener, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 2384. | Tabanca N., Demirci F., et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 2384. | Kirimer, Tabanca, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax | 2384. | Baser, Kürkcüoglu, et al., 1998 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Supelcowax 10 | 2364. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) |
| Capillary | Supelcowax 10 | 2375. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | Supelcowax 10 | 2376. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Palic, Stojanovic, et al., 2002
Palic, R.; Stojanovic, G.; Alagic, S.; Nikolic M.; Lepojevic, Z.,
Chemical composition and antimicrobial activity of the essential oil and CO2 extracts of the oriental tobacco, Prilep,
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Chemical composition and antimicrobial activity of the essential oil and CO2 extracts of semi-oriental tobacco, Otlja,
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Javidnia, Miri, et al., 2006
Javidnia, K.; Miri, R.; Banani, A.,
Volatile oil constituents of Haplophyllum tuberculatum (Forssk.) A. Juss. (Rutaceae) from Iran,
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Kukic J., Petrovic S., et al., 2006
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Flavour Fragr. J., 1999, 14, 1, 50-54, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<50::AID-FFJ783>3.0.CO;2-7
. [all data]
Kaya, Baser, et al., 1999, 2
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F.,
The essential oil of Acinos alpinus (L.) Moench growing in Turkey,
Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q
. [all data]
Duman, Kartal, et al., 2005
Duman, H.; Kartal, M.; Altun, L.; Demirci, B.; Baser, K.H.C.,
The essential oil of Stachys laetivirens Kotschy Boiss. ex Rech. fil., endemic in Turkey,
Flavour Fragr. J., 2005, 20, 1, 48-50, https://doi.org/10.1002/ffj.1362
. [all data]
Sezik E., Kocakulak E., et al., 2005
Sezik E.; Kocakulak E.; Baser K.H.C.; Ozek T.,
Composition of the essential oils of Juniperus oxycedrus subsp macrocarpa from Turkey,
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. [all data]
Baser, Özek, et al., 2004
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. [all data]
Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z.,
Composition of the essential oils of six endemic Salvia spp. from Turkey,
Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173
. [all data]
Erdemoglu, Sener, et al., 2003
Erdemoglu, N.; Sener, B.; Demirci, B.; Baser, K.H.C.,
The glycosidically bound volatile compounds of Taxus baccata,
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Tabanca N., Demirci F., et al., 2001
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Composition and antimicrobial activity of the essential oil of Origanum x dolichosiphon P. H. Davis,
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Kirimer, Tabanca, et al., 2000
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Baser, Kürkcüoglu, et al., 1998
Baser, K.H.C.; Kürkcüoglu, M.; Aytac, Z.,
Composition of the essential oil of Salvia euphratica Montbret ex Bentham var. euphratica from Turkey,
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Castioni and Kapetanidis, 1996
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Notes
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