Filifolone

Formula: C₁₀H₁₄O
Molecular weight: 150.2176
IUPAC Standard InChI: InChI=1S/C10H14O/c1-6-4-5-7-8(6)9(11)10(7,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1
IUPAC Standard InChIKey: JVEJBTZZORGEKF-JGVFFNPUSA-N
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:
- 4,7,7-Trimethylbicyclo[3.2.0]hept-3-en-6-one
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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	RTX-1	1082.	Muselli, Rossi, et al., 2007	60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	HP-5MS	1103.	Saroglou, Dorizas, et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 280. C
Capillary	RTX-1	1083.	Cozzani, Muselli, et al., 2005	60. m/0.22 mm/0.25 μm, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	DB-1	1075.	Ramezani, Behravan, et al., 2004	30. m/0.25 mm/0.25 μm, 2.5 K/min; T_start: 50. C; T_end: 265. C
Capillary	CP Sil 5 CB	1082.	Weyerstahl, Marschall, et al., 1999	He, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 260. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	RTX-Wax	1418.	Muselli, Rossi, et al., 2007	60. m/0.22 mm/0.25 μm, He, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	RTX-Wax	1423.	Cozzani, Muselli, et al., 2005	60. m/0.22 mm/0.25 μm, 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	HP-5MS	1109.	Zouari, Zouari, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1. min, 7. K/min, 250. C @ 5. min
Capillary	RTX-1	1085.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	RTX-1	1086.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	Ultra 2	1116.	Byun and Shin, 2008	50. m/0.20 mm/0.11 μm, Helium, 60. C @ 5. min, 2. K/min, 230. C @ 30. min
Capillary	HP-1	1082.	Filippi, Lanfranchi, et al., 2006	50. m/0.2 mm/0.33 μm, He, 2. K/min, 250. C @ 40. min; T_start: 60. C
Capillary	DB-5	1106.	Morteza-Semnani, Akbarzadeh, et al., 2005	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 220. C
Capillary	DB-1	1087.	Perez-Alonso, Velasco-Negueruela, et al., 2003	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 95. C; T_end: 240. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	SLB-5 MS	1101.	Costa, De Fina, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min)
Capillary	SLB-5 MS	1090.	Costa, De Fina, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	BPX-5	1110.	Ozer H., Kilic H., et al., 2006	30. m/0.25 mm/0.25 μm, He; Program: 50C => 3C/min => 150C (10min) => 10C/min => 250C

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	RTX-Wax	1419.	Museli, Pau, et al., 2009	60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; T_start: 60. C
Capillary	HP-20M	1395.	Filippi, Lanfranchi, et al., 2006	50. m/0.2 mm/0.1 μm, He, 2. K/min, 220. C @ 30. min; T_start: 60. C

References

Go To: Top, Gas Chromatography, Notes

Muselli, Rossi, et al., 2007
Muselli, A.; Rossi, P.-G.; Desjobert, J.-M.; Bernardini, A.-F.; Berti, L.; Costa, J., Chemical composition and antibacterial activity of Otanthus maritimus (L.) Hoffmanns. Link essential oils from Corsica, Flavour Fragr. J., 2007, 22, 3, 217-223, https://doi.org/10.1002/ffj.1787 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Cozzani, Muselli, et al., 2005
Cozzani, S.; Muselli, A.; Desjobert, J.-M.; Bernardini, A.-F.; Tomi, F.; Casanova, J., Chemical composition of essential oil of Teucrium polium subsp. capitatum (L.) from Corsica, Flavour Fragr. J., 2005, 20, 4, 436-441, https://doi.org/10.1002/ffj.1463 . [all data]

Ramezani, Behravan, et al., 2004
Ramezani, M.; Behravan, J.; Yazdinezhad, A., Chemical composition and antimicrobial activity of the volatile oil of Artemisia khorassanica from Iran, Pharm. Biol., 2004, 42, 8, 599-602, https://doi.org/10.1080/13880200490902482 . [all data]

Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Wahlburg, H.-C.; Christiansen, C.; Rustaiyan, A.; Mirdjalili, F., Constituents of the essential oil of Pulicaria gnaphalodes (Vent.) Boiss. from Iran, Flavour Fragr. J., 1999, 14, 2, 121-130, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<121::AID-FFJ790>3.0.CO;2-K . [all data]

Zouari, Zouari, et al., 2010
Zouari, S.; Zouari, N.; Fakhfakh, N.; Bougatel, A.; Ayadi, M.A.; Neffati, M., Chemical composition and biological activities of a new essential oil chemotype of Tunisian Artemisia herba alba Asso, J. Medicinal Plants Res., 2010, 4, 10, 871-880. [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]

Byun and Shin, 2008
Byun, Y.; Shin, S., Analysis of compounds and activity of essential oil from Chrysanthemum zawadskii var. latilobum and C. indicum agaunst antibiotic-resistant pathogenic bacteria, Nat. Prod. Sci., 2008, 14, 2, 138-142. [all data]

Filippi, Lanfranchi, et al., 2006
Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J., Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica, J. Agric. Food Chem., 2006, 54, 17, 6308-6313, https://doi.org/10.1021/jf060752y . [all data]

Morteza-Semnani, Akbarzadeh, et al., 2005
Morteza-Semnani, K.; Akbarzadeh, M.; Moshiri, K., Essential oil composition of Artemisia fragrans Willd. from Iran, Flavour Fragr. J., 2005, 20, 3, 330-331, https://doi.org/10.1002/ffj.1431 . [all data]

Perez-Alonso, Velasco-Negueruela, et al., 2003
Perez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, J.; Sanz, J., Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone, Biochem. Syst. Ecol., 2003, 31, 1, 77-84, https://doi.org/10.1016/S0305-1978(02)00082-0 . [all data]

Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L., An investigation on the volatile composition of some Artemisia species from Iran, Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919 . [all data]

Ozer H., Kilic H., et al., 2006
Ozer H.; Kilic H.; Gulluce M.; Sahin F., Essential oil composition of Tanacetum sorbifolium (Boiss.) Grierson from Turkey, Flavour Fragr. J., 2006, 21, 3, 543-545, https://doi.org/10.1002/ffj.1656 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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