(Z)-2,6-Dimethylocta-2,5,7-trien-4-one
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7-
- IUPAC Standard InChIKey: XUINKEIPBTYUJP-CLFYSBASSA-N
- CAS Registry Number: 33746-71-3
- 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: (Z)-Tagetenone; cis-Tagetenone; cis-Ocimenone; (Z)-Ocimenone; Ocimenone Z; (Z)-Ocymenone (tagetenone); (Z)-Ocimenone (cis-ocimenone)
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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 | HP-5MS | 1229. | Asuming, Beauchamp, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 3. K/min, 250. C @ 5. min |
| Capillary | SE-30 | 1209. | 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 | 1184. | 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 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1235. | Dob, Dahmane, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 3. min |
| Capillary | HP-5MS | 1229. | 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 | DB-1 | 1206. | 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 | 1184. | 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 1234. | 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) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1228. | El-Massry, El-Ghorab, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min, 220. C @ 40. min; Tstart: 35. C |
| Capillary | DB-5 | 1231. | Pontes, de Olivera, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-5 | 1232. | Chagonda and Chalchat, 2005 | 50. m/0.3 mm/0.25 μm, 2. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | HP-5 | 1216. | Pitarokili, Tzakou, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1231. | Pontes, de Olivera, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified |
| Capillary | DB-5 | 1231. | Barros-Filho, Nunes, et al., 2004 | 30. m/0.25 mm/0.1 μm, He; Program: 35C => 4C/min => 180C => 20C/min => 280C |
| Capillary | SE-30 | 1211. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-5 | 1231. | 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 | 1221. | Zenkevich, 1997 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 1704. | 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 | Carbowax 20M | 1690. | Vinogradov, 2004 | 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.
Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W.,
Essential oil composition of four Lomatium Raf. species and their chemotaxonomy,
Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005
. [all data]
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]
Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Agli, M.; Chelghoum, C.,
Essential oil composition of Lavandula stoechas from Algeria,
Pharm. Biol., 2006, 44, 1, 60-64, https://doi.org/10.1080/13880200500496421
. [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]
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]
El-Massry, El-Ghorab, et al., 2009
El-Massry, K.F.; El-Ghorab, A.H.; Shaaban, H.A.; Shibamoto, T.,
Chemical compositions and antioxidant/antimicrobial activities of various samples prepared from Schinus terebinthifolius leaves cultivated in Egipt,
J. Agric. Food Chem., 2009, 57, 12, 5265-5270, https://doi.org/10.1021/jf900638c
. [all data]
Pontes, de Olivera, et al., 2007
Pontes, W.J.T.; de Olivera, J.C.G.; da Camara, C.A.G.; Lopes, A.C.H.R.; Gondim Jr.; de Olivera, J.V.; Barros, R.; Schwartz, M.O.E.,
Chemical composition and acaridical activity of the leaf and fruit essential oils of Protium heptaphyllum (Aubl.) Marchand (Burseraceae),
Acta Amazonica, 2007, 37, 1, 103-110, https://doi.org/10.1590/S0044-59672007000100012
. [all data]
Chagonda and Chalchat, 2005
Chagonda, L.S.; Chalchat, J.-C.,
The essential oil of wild and cultivated Hoslundia opposita Vahl. from Zimbabwe,
Flavour Fragr. J., 2005, 20, 2, 193-195, https://doi.org/10.1002/ffj.1402
. [all data]
Pitarokili, Tzakou, et al., 2003
Pitarokili, D.; Tzakou, O.; Loukis, A.; Harvala, C.,
Volatile metabolites from Salvia fruticosa as antifungal agents in soilborne pathogens,
J. Agric. Food Chem., 2003, 51, 11, 3294-3301, https://doi.org/10.1021/jf0211534
. [all data]
Barros-Filho, Nunes, et al., 2004
Barros-Filho, B.A.; Nunes, F.M.; de Oliveira, M.C.F.; Mafezoli, J.; Andrade-Neto, M.; Silveira, E.R.; Pirani, J.R.,
Volatile constituents from Esenbeckia almawillia (Rutaceae),
Biochem. Syst. Ecol., 2004, 32, 9, 817-821, https://doi.org/10.1016/j.bse.2004.02.003
. [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
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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