Benzene, 2-ethenyl-1,4-dimethyl-
- Formula: C10H12
- Molecular weight: 132.2023
- IUPAC Standard InChIKey: DBWWINQJTZYDFK-UHFFFAOYSA-N
- CAS Registry Number: 2039-89-6
- 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: Styrene, 2,5-dimethyl-; 1,4-Dimethyl-2-vinylbenzene; 2,5-Dimethylstyrene; 1,4-Dimethyl-2-ethenylbenzene
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C10H12+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.00 ± 0.02 | PE | Maier and Turner, 1973 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase ion energetics data, 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 | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118473 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | HP-1 | 60. | 1076. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 1076. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 1087. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 1087. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | SE-30 | 70. | 1078.7 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | SE-30 | 130. | 1096. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 1080. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 65. | 1075.8 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 70. | 1432.2 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 1066. | Antunes, Sevinate-Pinto, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
Capillary | SPB-1 | 1071. | Cavaleiro, Salgueiro, et al., 2003 | 30. m/0.2 mm/0.2 μm, He, 3. K/min, 220. C @ 15. min; Tstart: 70. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1099. | Bertoli, Lepnardi, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 MS | 1090. | Chalchat, Figueredo, et al., 2010 | 25. m/0.30 mm/0.25 μm, Helium, 3. K/min; Tstart: 50. C; Tend: 240. C |
Capillary | DB-1 | 1089. | Pala-Paul, Brophy, et al., 2007 | 50. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 95. C; Tend: 240. C |
Capillary | HP-5 | 1066. | Abdelwahed, Hayder, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 3. min, 9. K/min, 280. C @ 3. min |
Capillary | HP-5 | 1067. | Abdelwahed, Hayder, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 3. min, 9. K/min, 280. C @ 3. min |
Capillary | CP Sil 5 CB | 1074. | Mojab, Rustaiyan, et al., 2002 | 25. m/0.25 mm/0.39 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1059. | Albano, Lima, et al., 2012 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
Capillary | HP-5 | 1101. | Veres, Csupor-Loffler, et al., 2012 | 30. m/0.35 mm/0.25 μm, Nitrogen; Program: 60 0C 3 0C/min -> 210 0C 5 0C/min -> 250 0C (2 min) |
Capillary | DB-1 | 1059. | Mendes, Trindade, et al., 2009 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
Capillary | DB-1 | 1059. | Mendes, Trindade, et al., 2009, 2 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
Capillary | DB-1 | 1059. | Figueiredo, Sim-Sim, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min) |
Capillary | Polymethylsiloxane, (PMS-20000) | 1079. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | DB-1 | 1059. | Santos, Figueiredo, et al., 1999 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C(10min) |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1076. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1080. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1434. | Pala-Paul, Brophy, et al., 2007 | 60. m/0.32 mm/0.25 μm, He, 4. K/min; Tstart: 70. C; Tend: 220. C |
Capillary | Innowax | 1425. | Abdelwahed, Hayder, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 3. min, 9. K/min, 280. C @ 3. min |
Capillary | Innowax | 1459. | Abdelwahed, Hayder, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 50. C @ 3. min, 9. K/min, 280. C @ 3. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Innowax FSC | 1444. | Baser, Demirci, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
Capillary | Carbowax 20M | 1432. | Cornwell and Cordano, 2003 | Program: not specified |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 180.1 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
References
Go To: Top, Gas phase ion energetics data, 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.
Maier and Turner, 1973
Maier, J.P.; Turner, D.W.,
Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part 2. Phenylethylenes,
J. Chem. Soc. Faraday Trans. 2, 1973, 69, 196. [all data]
Zhang, Li, et al., 1992
Zhang, M.J.; Li, S.D.; Chen, B.J.,
Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractions,
Chromatographia, 1992, 33, 3/4, 138-146, https://doi.org/10.1007/BF02275894
. [all data]
Tóth, 1983
Tóth, T.,
Use of capillary gas chromatography in collecting retention and chemical information for the analysis of complex petrochemical mixtures,
J. Chromatogr., 1983, 279, 157-165, https://doi.org/10.1016/S0021-9673(01)93614-3
. [all data]
Bredael, 1982
Bredael, P.,
Retention indices of hydrocarbons on SE-30,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610
. [all data]
Svob and Deur-Siftar, 1974
Svob, V.; Deur-Siftar, D.,
Kovats Retention Indices in the Identification of Alkylbenzene Degradation Products,
J. Chromatogr., 1974, 91, 677-689, https://doi.org/10.1016/S0021-9673(01)97947-6
. [all data]
Antunes, Sevinate-Pinto, et al., 2004
Antunes, T.; Sevinate-Pinto, I.; Barroso, J.G.; Cavaleiro, C.; Salgueiro, L.R.,
Micromorphology of trichomes and composition of essential oil of Teucrium capitatum,
Flavour Fragr. J., 2004, 19, 4, 336-340, https://doi.org/10.1002/ffj.1310
. [all data]
Cavaleiro, Salgueiro, et al., 2003
Cavaleiro, C.; Salgueiro, L.R.; da Cunha, A.P.; Figueiredo, A.C.; Barroso, J.G.; Bighelli, A.; Casanova, J.,
Composition and variability of the essential oils of the leaves and berries from Juniperus navicularis,
Biochem. Syst. Ecol., 2003, 31, 2, 193-201, https://doi.org/10.1016/S0305-1978(02)00080-7
. [all data]
Bertoli, Lepnardi, et al., 2011
Bertoli, A.; Lepnardi, M.; Krzyzanowska, J.; Oleszek, W.; Pistelli, L.,
Mentha longifolia in vitro cultures as safe source of flavouring ingradients,
Acta Biochem. Polonica, 2011, 58, 4, 581-587. [all data]
Chalchat, Figueredo, et al., 2010
Chalchat, J.-C.; Figueredo, G.; Ozcan, M.M.; Unver, A.,
Effect of hydrodistillation and microwave distillation extraction methods on chemical composition of essential oil of pickling herb and myrtle plants,
South Western J. of Agriculture, 2010, 1, 2, 133-141. [all data]
Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
J. Chromatogr. A, 2007, 1175, 2, 289-293, https://doi.org/10.1016/j.chroma.2007.10.061
. [all data]
Abdelwahed, Hayder, et al., 2006
Abdelwahed, A.; Hayder, N.; Kilani, S.; Mahmoud, A.; Chibani, J.; Hammami, M.; Chekir-Ghedira, L.; Ghedira, K.,
Chemical composition and antimicrobial activity of essential oils from Tunisian Pituranthos tortuosus (Coss.) Maire,
Flavour Fragr. J., 2006, 21, 1, 129-133, https://doi.org/10.1002/ffj.1542
. [all data]
Mojab, Rustaiyan, et al., 2002
Mojab, F.; Rustaiyan, A.; Jasbi, A.R.,
Essential oils of Heracleum persicum Desf. ex Fischer leaves, 2002, retrieved from http://www1.tums.ac.ir/daru/DaruVolum10-No1-2002/Mojab.htm. [all data]
Albano, Lima, et al., 2012
Albano, S.M.; Lima, A.S.; Miguel, M.G.; Pedro, L.G.; Barroso, J.G.; Figueiredo, A.C.,
Antioxidant, anti-5-lipoxygenase and antiacetylcholinesterase activities of essential oils and decoction water of some aromatic plants,
Rec. Nat. Prod., 2012, 6, 1, 35-48. [all data]
Veres, Csupor-Loffler, et al., 2012
Veres, K.; Csupor-Loffler, B.; Lazar, A.; Holmann, J.,
Antifungal activity and composition of essential oils of Conyza canadensis herbs and roots,
The Sci. World. J., 2012, 2012, 1-5, https://doi.org/10.1100/2012/489646
. [all data]
Mendes, Trindade, et al., 2009
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Pedro, L.G.; Barroso, J.G.,
Chaerophyllum azoricun Trel. grown in the Azores archipelago, Portugal: evaluation of the genetic diversity using molecular markers and comparison with volatile oils profiles,
Flavour Fragr. J., 2009, 24, 5, 259-265, https://doi.org/10.1002/ffj.1939
. [all data]
Mendes, Trindade, et al., 2009, 2
Mendes, M.D.; Trindade, H.; Figueiredo, A.C.; Barroso, J.G.; Fontinha, S.S.; Pedro, L.G.,
Volatile and molecular characterization of two Portuguese endemic species: Angelica lignescens and Melanoselinium decipiens,
Biochen. Systematics Ecol., 2009, 37, 2, 98-105, https://doi.org/10.1016/j.bse.2008.12.006
. [all data]
Figueiredo, Sim-Sim, et al., 2005
Figueiredo, A.C.; Sim-Sim, M.; Costa, M.M.; Barroso, J.G.; Pedro, L.G.; Esquível, M.G.; Gutierres, F.; Lobo, C.; Fontinha, S.,
Comparison of the essential oil composition of four Plagiochila species: P. bifaria, P. maderensis, P. retrorsa and P. stricta,
Flavour Fragr. J., 2005, 20, 6, 703-709, https://doi.org/10.1002/ffj.1627
. [all data]
Cornwell and Cordano, 2003
Cornwell, E.; Cordano, G.,
Nueva proposicion para predecir datos de retencion obtenidos mediante cromatografia de gases de hidrocarburos derivados de las naftas,
Revista de la Sociedad Quimica de Mexico, 2003, 47, 1, 38-43. [all data]
Santos, Figueiredo, et al., 1999
Santos, P.A.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Scheffer, J.J.C.,
Composition of the essential oil of Hypericum foliosum Aiton from five Azorean islands,
Flavour Fragr. J., 1999, 14, 5, 283-286, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<283::AID-FFJ826>3.0.CO;2-2
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Baser, Demirci, et al., 2003
Baser, K.H.C.; Demirci, B.; Dekebo, A.; Dagne, E.,
Essential oils of some Boswellia spp., myrrh and opopanax,
Flavour Fragr. J., 2003, 18, 2, 153-156, https://doi.org/10.1002/ffj.1166
. [all data]
Fuentes, Font, et al., 2007
Fuentes, M.J.; Font, R.; Gomez-Rico, M.F.; Martin-Gullon, I.,
Pyrolysis and combustion of waste lubricant oil from diesel cars: Decomposition and pollutants,
J. Anal. Appl. Pyrolysis, 2007, 79, 1-2, 215-226, https://doi.org/10.1016/j.jaap.2006.12.004
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
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