7-Octen-4-one, 2,6-dimethyl-

Formula: C₁₀H₁₈O
Molecular weight: 154.2493
IUPAC Standard InChI: InChI=1S/C10H18O/c1-5-9(4)7-10(11)6-8(2)3/h5,8-9H,1,6-7H2,2-4H3
IUPAC Standard InChIKey: VUSBHGLIAQXBSW-UHFFFAOYSA-N
CAS Registry Number: 1879-00-1
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.
Other names: 2,6-Dimethyloct-7-en-4-one; Dihydrotagetone
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Gas Chromatography

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

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 5 CB	1050.	Ogunwande, Olawore, et al., 2004	25. m/0.25 mm/0.15 μm, H2, 3. K/min; T_start: 50. C; T_end: 230. C
Capillary	DB-5	1047.	Senatore and de Feo, 1999	30. m/0.25 mm/0.33 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
Capillary	DB-5	1047.	de Feo, Porta, et al., 1998	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min
Capillary	DB-5	1047.	Senatore, Urrunaga Soria, et al., 1997	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 250. C @ 20. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1059.	Agnaniet, Makani, et al., 2005	30. m/0.25 mm/0.25 μm, N2, 5. K/min; T_start: 50. C; T_end: 200. C
Capillary	DB-1	1047.	de Feo, Urrunaga Soria, et al., 2005	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	SE-52	1053.	Lorenzo, Loayza, et al., 2002	25. m/0.32 mm/0.40 μm, H2; Program: 60 C (8 min) 3 C/min -> 180 C 20 C/min -> 250 C (10 min)

Van Den Dool and Kratz RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	BP-20	1268.	Lorenzo, Loayza, et al., 2002	25. m/0.25 mm/0.25 μm, He; Program: 40 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1053.	Bertoli, Lepnardi, et al., 2011	30. m/0.25 mm/0.25 μm, Helium, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	ZB-5	1045.	Vazques, Aimar, et al., 2011	30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 5. min, 5. K/min; T_end: 200. C
Capillary	ZB-5	1047.	Vazquez, Demmel, et al., 2011	30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 5. min, 5. K/min, 200. C @ 5. min
Capillary	DB-1	1033.	Meshkatalsadat, Safaei-Ghomi. J., et al., 2010	60. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min; T_start: 60. C; T_end: 250. C
Capillary	5 % Phenyl methyl siloxane	1013.	Marongiu, Piras, et al., 2006	30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 280. C @ 30. min; T_start: 60. C
Capillary	DB-5	1055.	Senatore, Apostolides Arnold, et al., 2005	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min
Capillary	HP-1	1047.	Senatore, Napolitano, et al., 2004	30. m/0.25 mm/0.33 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	ZB-5	1047.	Vazques, Aimar, et al., 2011	30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified
Capillary	ZB-5	1047.	Vazquez, Demmel, et al., 2011	30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified
Capillary	SE-30	1060.	Vinogradov, 2004	Program: not specified
Capillary	HP-5	1055.	Singh, Singh, et al., 2003	30. m/0.25 mm/0.25 μm, He; Program: 60C(5min) => 1C/min => 140C => 10C/min => 270C(5min)
Capillary	Polydimethyl siloxanes	1082.	Zenkevich, 1997	Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax FSC	1319.	Viljoen, Subramoney, et al., 2005	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C

References

Go To: Top, Gas Chromatography, Notes

Ogunwande, Olawore, et al., 2004
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O.; König, W.A., Rare terpenoid esters from Hyparrhenia rufa (Nees) Stapf. growing wild in Nigeria, Flavour Fragr. J., 2004, 19, 3, 239-243, https://doi.org/10.1002/ffj.1295 . [all data]

Senatore and de Feo, 1999
Senatore, F.; de Feo, V., Chemical composition of the essential oil from Tagetes mandonii Sch. Bip. (Asteraceae), Flavour Fragr. J., 1999, 14, 1, 32-34, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<32::AID-FFJ772>3.0.CO;2-7 . [all data]

de Feo, Porta, et al., 1998
de Feo, V.; Porta, G.D.; Urrunaga Soria, E.; Urrunaga Soria, R.; Senatore, F., Composition of the essential oil of Tagetes filifolia Lag., Flavour Fragr. J., 1998, 13, 3, 145-147, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<145::AID-FFJ707>3.0.CO;2-Q . [all data]

Senatore, Urrunaga Soria, et al., 1997
Senatore, F.; Urrunaga Soria, E.; Urrunaga Soria, R.; Porta, G.D.; Taddeo, R.; de Feo, V., Essential oil of Eremocharis triradiata (Wolff.) Johnston (Apiaceae) growing wild in Perú, Flavour Fragr. J., 1997, 12, 4, 257-259, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<257::AID-FFJ645>3.0.CO;2-4 . [all data]

Agnaniet, Makani, et al., 2005
Agnaniet, H.; Makani, T.; Akagah, A.; Menut, C.; Bessière, J.M., Volatile constituents and antioxidant activity of essential oils from Lippia multiflora Mold. growing in Gabon, Flavour Fragr. J., 2005, 20, 1, 34-38, https://doi.org/10.1002/ffj.1383 . [all data]

de Feo, Urrunaga Soria, et al., 2005
de Feo, V.; Urrunaga Soria, E.; Urrunaga Soria, R.; Pizza, C., Composition and in vitro toxicity of the essential oil of Tagetes terniflora HBK. (Asteraceae), Flavour Fragr. J., 2005, 20, 1, 89-92, https://doi.org/10.1002/ffj.1379 . [all data]

Lorenzo, Loayza, et al., 2002
Lorenzo, D.; Loayza, I.; Dellacassa, E., Composition of the essential oil of Tagetes maxima Kuntze from Bolivia, Flavour Fragr. J., 2002, 17, 2, 115-118, https://doi.org/10.1002/ffj.1062 . [all data]

Bertoli, Lepnardi, et al., 2011
Bertoli, A.; Lepnardi, M.; Krzyzanowska, J.; Oleszek, W.; Pistelli, L., Mentha longifolia in vitro cultures as safe source of flavouring ingradients, Acta Biochem. Polonica, 2011, 58, 4, 581-587. [all data]

Vazques, Aimar, et al., 2011
Vazques, A.M.; Aimar, M.L.; Demmel, G.I.; Criado, S.G.; Ruiz, G.M.; Cantero, J.J.; Rossi, L.I.; Velasco, M.I., Determination of volatile organic compounds of Tagetes argentina Cabrera (asteraceae) using HS-SPME analysis, Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 5, 463-469. [all data]

Vazquez, Demmel, et al., 2011
Vazquez, A.M.; Demmel, G.I.; Criado, S.G.; Aimar, M.L.; Cantero, J.; Rossi, L.I.; Velasco, M.I., Phytochemistry of TAgetes minuta L. (Asteraceae) from Cordoba, Argentina: comparative study between essential oil and HS-SPME analyses, Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 4, 351-362. [all data]

Meshkatalsadat, Safaei-Ghomi. J., et al., 2010
Meshkatalsadat, M.H.; Safaei-Ghomi. J.; Moharramipour, S.; Nasseri, M., Chemical characterization of volatile components of Tagetes minuta L. cultivated in South West of Iran by nano scale injection, Digest J. Nanomaterials Biostructures, 2010, 5, 1, 101-106. [all data]

Marongiu, Piras, et al., 2006
Marongiu, B.; Piras, A.; Porcedda, S.; Tuveri, E.; Maxia, A., Isolation of Seseli bocconi Guss. volatile oil by supercritical carbon dioxide extraction, Natural Product Research, 2006, 20, 9, 820-826, https://doi.org/10.1080/14786410500364684 . [all data]

Senatore, Apostolides Arnold, et al., 2005
Senatore, F.; Apostolides Arnold, N.; Bruno, M., Volatile components of Centaurea eryngioides Lam. and Centaurea liberica Trev. var. hermonis Boiss. Lam., two Asteraceae growing wild in Lebanon, Nat. Prod. Res., 2005, 19, 8, 749-754, https://doi.org/10.1080/14786410412331302136 . [all data]

Senatore, Napolitano, et al., 2004
Senatore, F.; Napolitano, F.; Mohamed, M.A.-H.; Harris, P.J.C.; MnKeni, P.N.S.; Henderson, J., Antibacterial activity of Tagetes minuta L. (Asteraceae) essential oil with different chemical composition, Flavour Fragr. J., 2004, 19, 6, 574-578, https://doi.org/10.1002/ffj.1358 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Singh, Singh, et al., 2003
Singh, G.; Singh, O.P.; de Lampasona, M.P.; Catalán, C.A.N., Studies on essential oils. Part 35: chemical and biocidal investigations on Tagetes erecta leaf volatile oil, Flavour Fragr. J., 2003, 18, 1, 62-65, https://doi.org/10.1002/ffj.1158 . [all data]

Zenkevich, 1997
Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons, Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]

Viljoen, Subramoney, et al., 2005
Viljoen, A.M.; Subramoney, S.; van Vuuren, S.F.; Baser, K.H.C.; Demirci, B., The composition, geographical variation and antimicrobial activity of Lippia javanica (Verbenaceae) leaf essential oils, J. Ethnopharmacol., 2005, 96, 1-2, 271-277, https://doi.org/10.1016/j.jep.2004.09.017 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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