Cyclohexene, 4-methylene-1-(1-methylethyl)-
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChIKey: SCWPFSIZUZUCCE-UHFFFAOYSA-N
- CAS Registry Number: 99-84-3
- 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. - Other names: p-Mentha-1(7),3-diene; β-Terpinen; β-Terpinene; Beta terpinene; Cyclohexene, 4-methylene-1-isopropyl
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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. |
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NIST MS number | 3303 |
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 | 5 % Phenyl methyl siloxane | 1036. | Estevez, Ventanas, et al., 2005 | 30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax | 1232. | Bassole, Ouattara, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min, 240. C @ 10. min; Tstart: 40. C |
Capillary | DB-Wax | 1206. | Shiratsuchi, Shimoda, et al., 1993 | 60. m/0.25 mm/0.25 μm, 50. C @ 4. min, 2. K/min, 230. C @ 30. min |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-1 | 1051. | Dib, Djabou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
Capillary | OV-101 | 1019. | Nykanen, 1986 | 40. C @ 5. min, 3.5 K/min; Column length: 50. m; Column diameter: 0.30 mm; Tend: 230. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-1 | 1049. | Dib, Djabou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
Capillary | 5 % Phenyl methyl siloxane | 988. | Huang, Qin, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 10 0C/min -> 150 0C 15 0C/min -> 300 0C (10 min) |
Capillary | HP-5 | 1056. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | DB-5 | 1020. | Isidorov, Zenkevich, et al., 1997 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1254. | Niponsak, Laohakunjit, et al., 2011 | 30. m/0.25 mm/0.25 μm, 5. K/min, 240. C @ 5. min; Tstart: 40. C |
Capillary | DB-Wax | 1218. | Zeng, Xie, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 230. C @ 4.5 min |
Capillary | DB-Wax | 1206. | Shimoda, Shiratsuchi, et al., 1993 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 2. K/min; Tend: 230. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax FSC | 1177. | Demirci, Baser, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C |
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.
Estevez, Ventanas, et al., 2005
Estevez, M.; Ventanas, S.; Ramirez, R.; Cava, R.,
Influence of the Addition of Rosemary Essential Oil on the Volatiles Pattern of Porcine Frankfurters,
J. Agric. Food Chem., 2005, 53, 21, 8317-8324, https://doi.org/10.1021/jf051025q
. [all data]
Bassole, Ouattara, et al., 2003
Bassole, I.H.N.; Ouattara, A.S.; Nebie, R.; Ouattara, C.A.T.; Kabore, Z.I.; Traore, S.A.,
Chemical composition and antibacterial activities of the essential oils of Lippia chevalieri and Lippia multiflora from Burkina Faso,
Phytochemistry, 2003, 62, 2, 209-212, https://doi.org/10.1016/S0031-9422(02)00477-6
. [all data]
Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y.,
Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1,
J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027
. [all data]
Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J.,
Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation,
Chem, Centr. J., 2010, 4, 16, 1-15. [all data]
Nykanen, 1986
Nykanen, I.,
High Resolution Gas Chromatographic - Mass Spectrometric determination of the Flavour Composition of Wild Majoram (Origanum vulgare L.) Cultivated in Finland,
Z. Lebensm Unters Forsch, 1986, 183, 4, 267-272, https://doi.org/10.1007/BF01087742
. [all data]
Huang, Qin, et al., 2009
Huang, B.; Qin, L.; Chu, Q.; Zhang, Q.; Gao, L.; Zheng, H.,
Comparison of headspace SPME with hydrodistillation and SFE for analysis of the volatile components of the roots of Valeriana officinalis var. latifolia,
Chromatographia, 2009, 69, 5/6, 489-496, https://doi.org/10.1365/s10337-008-0921-y
. [all data]
Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G.,
EXtraction, preparation and identification of volatile compounds in Changyu XO brandy,
Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0
. [all data]
Isidorov, Zenkevich, et al., 1997
Isidorov, V.; Zenkevich, I.; Sacharevich, T.,
Calculation of Gas Chromatographic Retention Indices for Monoterpenes and Terpenoids from Their Physico-Chemical Constants,
Chem. Anal. (Warsaw), 1997, 42, 627-634. [all data]
Niponsak, Laohakunjit, et al., 2011
Niponsak, A.; Laohakunjit, N.; kerdchoechuen, O.,
Changes of volatile compounds and physicochemical qualities of fresh cut Pomelo during storage,
Agricultural Sci., 2011, 42, 2, 109-112. [all data]
Zeng, Xie, et al., 2011
Zeng, Z.; Xie, R.; Zhang, T.; Zhang, H.; Chen, J.Y.,
Analysis of volatile compositions of Magnolia biondii Pamp by steam distillation and Headspace solid phase micro-extraction,
J. Oleo Sci., 2011, 60, 12, 591-596, https://doi.org/10.5650/jos.60.591
. [all data]
Shimoda, Shiratsuchi, et al., 1993
Shimoda, M.; Shiratsuchi, H.; Minegishi, Y.; Osajima, Y.,
Flavor deterioration of nonfermented coarse-cut sausage during storage. Flavor as a factor of quality for nonfermented sausage. 2,
J. Agric. Food Chem., 1993, 41, 6, 946-950, https://doi.org/10.1021/jf00030a021
. [all data]
Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z.,
Composition of the essential oils of six endemic Salvia spp. from Turkey,
Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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