5,7-Octadien-4-one, 2,6-dimethyl-, (Z)-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7-
- IUPAC Standard InChIKey: RJXKHBTYHGBOKV-CLFYSBASSA-N
- CAS Registry Number: 3588-18-9
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: cis-Tagetone; Tagetone (Z); (Z)-5,7-Octadien-4-one, 3,6-dimethyl; (Z)-Tagetone; (Z)-2,6-Dimethylocta-5,7-dien-4-one
- Information on this page:
- Other data available:
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Gas Chromatography
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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1140. | Juliani, Koroch, et al., 2002 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-5 | 1124. | 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 | 1122. | 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1156. | Agnaniet, Makani, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | DB-1 | 1124. | 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 |
| Capillary | HP-5 | 1153. | Ngassapa, Runyoro, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 1155. | 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1459. | 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-5 | 1159. | Vazques, Aimar, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 5. min, 5. K/min; Tend: 200. C |
| Capillary | ZB-5 | 1163. | 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-5 | 1152. | Ho, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min; Tend: 250. C |
| Capillary | DB-1 | 1134. | Rasooli and Owlia, 2005 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 1134. | Rasooli and Razzaghi Abyaneh, 2004 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 1134. | Rasooli and Razzaghi Abyaneh, 2004 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | HP-1 | 1124. | 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-5 | 1156. | Vazques, Aimar, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified |
| Capillary | ZB-5 | 1156. | Vazquez, Demmel, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified |
| Capillary | SE-30 | 1138. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-5 | 1155. | 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 | CP Sil 5 CB | 1147. | Weyerstahl, Marschall, et al., 1998 | He; Column length: 25. m; Phase thickness: 0.39 μm; Program: not specified |
| Capillary | Polydimethyl siloxanes | 1138. | Zenkevich, 1997 | Program: not specified |
| Packed | OV-101 | 1136. | Swigar and Silverstein, 1981 | N2, Chromosorb G 60-80mesh DMCS; Column length: 2.5 m; Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 1500. | Viljoen, Subramoney, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | DB-Wax | 1517. | 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
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Juliani, Koroch, et al., 2002
Juliani, H.R., Jr.; Koroch, A.R.; Juliani, H.R.; Trippi, V.S.; Zygadlo, J.A.,
Intraespecific variation in leafoils of Lippia junelliana (mold.) tronc,
Biochem. Syst. Ecol., 2002, 30, 2, 163-170, https://doi.org/10.1016/S0305-1978(01)00067-9
. [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]
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]
Ngassapa, Runyoro, et al., 2003
Ngassapa, O.; Runyoro, D.K.B.; Harvala, E.; Chinou, I.B.,
Composition and antimicrobial activity of essential oils of two populations of Tanzanian Lippia javanica (Burm. f.) Spreng. (Verbenaceae),
Flavour Fragr. J., 2003, 18, 3, 221-224, https://doi.org/10.1002/ffj.1195
. [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]
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]
Ho, Wang, et al., 2009
Ho, C.-L.; Wang, E.I.-C.; Su, Y.-C.,
Essential oil compositions and bioactivities of the various parts of Cinnamomum camphora Sieb. var. linallolifera Fujuta,
Journal title only in Chinese, 2009, 31, 2, 77-96. [all data]
Rasooli and Owlia, 2005
Rasooli, I.; Owlia, P.,
Chemoprevention by thyme oils of Aspergillus parasiticus growth and aflatoxin production,
Phytochemistry, 2005, 66, 24, 2851-2856, https://doi.org/10.1016/j.phytochem.2005.09.029
. [all data]
Rasooli and Razzaghi Abyaneh, 2004
Rasooli, I.; Razzaghi Abyaneh, M.,
Inhibitory effects of Thyme oils on growth and aflatoxin production by Aspergillus parasiticus,
Food Control, 2004, 15, 6, 479-483, https://doi.org/10.1016/j.foodcont.2003.07.002
. [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]
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]
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]
Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M.,
Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [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
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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