Bicyclo[3.1.0]hex-2-ene, 4-methylene-1-(1-methylethyl)-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChIKey: LBVRQJWOZIMWNY-UHFFFAOYSA-N
- CAS Registry Number: 36262-09-6
- 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: 1-Isopropyl-4-methylenebicyclo[3.1.0]hex-2-ene; 2,4(10)-Thujadiene; 4-Methylene-1-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene; Dehydrosabinene; Thuja-2,4(10)-diene; 2,4-Thujadiene; Dehydrosabinene (Thuja-2,4(10)-diene)
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | SLB-5 MS | SLB-5 MS | BPX-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | not specified | not specified | 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) | not specified | 50C => 3C/min => 150C(10min) => 10C/min => 250C |
I | 952. | 956. | 953. | 953. | 951. |
Reference | Cao, Li, et al., 2011 | Porto, Decorti, et al., 2009 | Costa, De Fina, et al., 2008 | Costa, De Fina, et al., 2008 | Ozer H., Sokmen M., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | SE-52 | DB-5 | DB-5 | OV-1 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.15 | 0.25 | 0.25 | 0.25 |
Program | not specified | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 40C(1min) => 9C/min => 130C => 2C/min => 230C | 40C(1min) => 9C/min => 130C => 2C/min => 230C | 45 0C (4 min) 3 0C/min -> 75 0C 4 0C/min -> 115 0C 6 0C/min -> 312 0C |
I | 960. | 958. | 946. | 952. | 938. |
Reference | Ristic, Krivokuca-Dokic, et al., 2007 | Tognolini, Barocelli, et al., 2006 | Hamm, Bleton, et al., 2005 | Hamm, Bleton, et al., 2005 | Hafez and Abdel-Salam, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-5 | SE-30 | CP Sil 5 CB | Methyl Silicone |
Column length (m) | 30. | 30. | ||
Carrier gas | He | N2 | ||
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | |||
Program | 40C(1min) => 9C/min => 130C => 2C/min => 230C | not specified | not specified | not specified |
I | 952. | 939. | 954. | 939. |
Reference | Hamm, Bleton, et al., 2004 | Vinogradov, 2004 | Weyerstahl, Marschall, et al., 1997 | Zenkevich, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X.,
QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression,
Chin. J. Chem., 2011, 29, 10, 2187-2196, https://doi.org/10.1002/cjoc.201180379
. [all data]
Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I.,
Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods,
Food Chem., 2009, 112, 4, 1072-1078, https://doi.org/10.1016/j.foodchem.2008.07.015
. [all data]
Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L.,
An investigation on the volatile composition of some Artemisia species from Iran,
Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919
. [all data]
Ozer H., Sokmen M., et al., 2007
Ozer H.; Sokmen M.; Gulluce M.; Adiguzel A.; Sahin F.; Sokmen A.; Kilic H.; Baris O.,
Chemical Composition and Antimicrobial and Antioxidant Activities of the Essential Oil and Methanol Extract of Hippomarathrum microcarpum (Bieb.) from Turkey,
J. Agric. Food Chem., 2007, 55, 3, 937-942, https://doi.org/10.1021/jf0624244
. [all data]
Ristic, Krivokuca-Dokic, et al., 2007
Ristic, M.; Krivokuca-Dokic, D.; Radanovic, D.; Nastovski, T.,
Etarsko ulje Arnica montata i Arnica chamissonis,
Hem. Ind., 2007, 61, 5, 272-277, https://doi.org/10.2298/HEMIND0704272R
. [all data]
Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M.,
Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity,
Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020
. [all data]
Hamm, Bleton, et al., 2005
Hamm, S.; Bleton, J.; Connan, J.; Tchapla, A.,
A chemical investigation by headspace SPME and GC-MS of volatile and semi-volatile terpenes in various olibanum samples,
Phytochemistry, 2005, 66, 12, 1499-1514, https://doi.org/10.1016/j.phytochem.2005.04.025
. [all data]
Hafez and Abdel-Salam, 2004
Hafez, S.S.; Abdel-Salam, H.A.,
chemical composition and antimicrobial activity of the volatile constituents of thuja occidentalis L. growing in Egipt,
Alexandria J. Pharm. Sci., 2004, 18, 1, 41-47. [all data]
Hamm, Bleton, et al., 2004
Hamm, S.; Bleton, J.; Tchapla, A.,
Headspace solid phase microextraction for screening for the presence of resins in Egyptian archaeological samples,
J. Sep. Sci., 2004, 27, 3, 235-243, https://doi.org/10.1002/jssc.200301611
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Weyerstahl, Marschall, et al., 1997
Weyerstahl, P.; Marschall, H.; Seelmann, I.; Rustaiyan, A.,
Constituents of the essential oil of Achillea eriophora DC,
Flavour Fragr. J., 1997, 12, 2, 71-78, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<71::AID-FFJ620>3.0.CO;2-E
. [all data]
Zenkevich, 1996
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Mass Spectral Identification. Mono- and Sesquiterpenes,
Rastitelnye Resursy (Plant resources), 1996, 34, 1-2, 48-58. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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