Bicyclo[3.1.0]hex-2-ene, 4-methyl-1-(1-methylethyl)-
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChIKey: GJYKUZUTZNTBEC-UHFFFAOYSA-N
- CAS Registry Number: 28634-89-1
- 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. - Species with the same structure:
- Other names: 2-Thujene; β-Thujene; 1-Isopropyl-4-methylbicyclo[3.1.0]hex-2-ene
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Mass spectrum (electron ionization)
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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. |
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NIST MS number | 20969 |
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 | SPB-1 | 968. | Radulovic, Lazarevic, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
Capillary | DB-1 | 968. | Kim, 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-20M | 1117. | Jerkovic, Mastelic, et al., 2003 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 10. min |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 978. | Yassa and Akhani, 2008 | 30. m/0.25 mm/0.32 μm, Helium, 60. C @ 30. min, 5. K/min; Tend: 250. C |
Capillary | HP-5 MS | 966. | Capetanos, Saroglou, et al., 2007 | 30. m/0.32 mm/0.25 μm, Helium, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Capillary | DB-5 | 920. | Ghasemi, Yamini, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 30. K/min; Tend: 210. C |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1133. | Weyerstahl, Marschall, et al., 1999 | N2, 5. K/min; Column length: 60. m; Phase thickness: 0.25 μm; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | NB-351 | 1107. | Kerrola and Kallio, 1993 | 25. m/0.32 mm/0.2 μm; Program: 40C(5min) => 4C/min => 150C => 8C/min => 240C(12min) |
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.
Radulovic, Lazarevic, et al., 2007
Radulovic, N.; Lazarevic, J.; Ristic, N.; Palic, R.,
Chemotaxonomic significance of the volatiles in the genus Stachys (Lamiaceae): Essential oil composition of four Balkan Stachys species,
Biochem. Syst. Ecol., 2007, 35, 4, 196-208, https://doi.org/10.1016/j.bse.2006.10.010
. [all data]
Kim, 2001
Kim, J.S.,
Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]
Jerkovic, Mastelic, et al., 2003
Jerkovic, I.; Mastelic, J.; Milos, M.; Juteau, F.; Masotti, V.; Viano, J.,
Chemical variability of Artemisia vulgaris L. essential oils originated from the Mediterranean area of France and Croatia,
Flavour Fragr. J., 2003, 18, 5, 436-440, https://doi.org/10.1002/ffj.1246
. [all data]
Yassa and Akhani, 2008
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2008, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Capetanos, Saroglou, et al., 2007
Capetanos, C.; Saroglou, V.; Marin, P.D.; Simic, A.; Skaltsa, H.D.,
Essential oil snalysis of two endemic Eringium species from Serbia,
J. Serb. Chem. Soc., 2007, 72, 10, 961-965, https://doi.org/10.2298/JSC0710961C
. [all data]
Ghasemi, Yamini, et al., 2007
Ghasemi, E.; Yamini, Y.; Bahramifar, N.; Sefidkon, F.,
Comparative analysis of the oil and supercritical CO2 extract of Artemisia sieberi,
J. Food Eng., 2007, 79, 1, 306-311, https://doi.org/10.1016/j.jfoodeng.2006.01.059
. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Rustaiyan, A.,
Constituents of the essential oil of Tanacetum (syn. Chrysanthemum) fruticulosum Ledeb. from Iran,
Flavour Fragr. J., 1999, 14, 2, 112-120, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<112::AID-FFJ786>3.0.CO;2-1
. [all data]
Kerrola and Kallio, 1993
Kerrola, K.; Kallio, H.,
Volatile compounds and odor characteristics of carbon dioxide extract of coriander (Coriandrum sativum L.) fruits,
J. Agric. Food Chem., 1993, 41, 5, 785-790, https://doi.org/10.1021/jf00029a021
. [all data]
Notes
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