1,3,6-Heptatriene, 2,5,5-trimethyl-
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-6-10(4,5)8-7-9(2)3/h6-8H,1-2H2,3-5H3/b8-7+
- IUPAC Standard InChIKey: BYLJEQIUXOYKOB-BQYQJAHWSA-N
- CAS Registry Number: 29548-02-5
- 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: 2,5,5-Trimethyl-1,3,6-heptatriene; 3,3,6-Trimethyl-1,4,6-heptatriene; Artemisia triene
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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
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| 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 | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
| NIST MS number | 61693 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 922. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 923. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
| Capillary | HP-1 | 918. | Filippi, Lanfranchi, et al., 2006 | 50. m/0.2 mm/0.33 μm, He, 2. K/min, 250. C @ 40. min; Tstart: 60. C |
| Capillary | DB-5 | 924. | Bos, Stojanova, et al., 2005 | 30. m/0.249 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 290. C |
| Capillary | DB-5 | 928. | Tellez, Estell, et al., 1997 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 921. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
| Capillary | CBP-5 | 929. | de Morais, Oliveira, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 60 0C 3 0C/min -> 240 0C 10 0C/min -> 280 0C (10 min) |
| Capillary | HP-1 | 924. | Merle, Verdeguer, et al., 2007 | 30. m/0.2 mm/0.33 μm, He; Program: 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min) |
| Capillary | CP Sil 8 CB | 927. | Judzentiene and Buzelyte, 2006 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1072. | Merle, Verdeguer, et al., 2007 | He; Column length: 30. m; Program: 60C(5min) => 3C/min => 180C => 20C/min => 280C(10min) |
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.
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]
Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A.,
Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria,
Chem. Centr. J., 2012, 6, 48, 1-22. [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]
Bos, Stojanova, et al., 2005
Bos, R.; Stojanova, A.; Woerdenbag, H.J.; Koulman, A.; Quax, W.J.,
Volatile components of the aerial parts of Artemisia pontica L. grown in Bulgaria,
Flavour Fragr. J., 2005, 20, 2, 145-148, https://doi.org/10.1002/ffj.1399
. [all data]
Tellez, Estell, et al., 1997
Tellez, M.R.; Estell, R.E.; Frederickson, E.L.; Havstad, K.M.,
Essntial oil of Flourensia cernua DC,
J. Essent. Oil Res., 1997, 9, 6, 619-624, https://doi.org/10.1080/10412905.1997.9700799
. [all data]
de Morais, Oliveira, et al., 2012
de Morais, S.R.; Oliveira, T.L.S.; BAra, M.T.F.; da Conceicao, E.C.; Rezende, M.H.; Ferri, P.H.; de Paula, J.R.,
Chemical constituents of essential oil from Lippia sidoides Cham. (Verbenaceae) leaves cultivated in Hidrolandia, Goias, Brasil,
Int. J. Anal. Chem., 2012, 2012, 1-4, https://doi.org/10.1155/2012/363919
. [all data]
Merle, Verdeguer, et al., 2007
Merle, H.; Verdeguer, M.; Blázquez, M.A.; Boira, H.,
Chemical composition of the essential oils from Eriocephalus africanus L. var. africanus populations growing in Spain,
Flavour Fragr. J., 2007, 22, 6, 461-464, https://doi.org/10.1002/ffj.1821
. [all data]
Judzentiene and Buzelyte, 2006
Judzentiene, A.; Buzelyte, J.,
Chemical composition of essential oils of Artemisia vulgaris L. (mugwort) from North Lithuania,
Chemija, 2006, 17, 1, 12-15. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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