Styrene
- Formula: C8H8
- Molecular weight: 104.1491
- IUPAC Standard InChIKey: PPBRXRYQALVLMV-UHFFFAOYSA-N
- CAS Registry Number: 100-42-5
- 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: Benzene, ethenyl-; Bulstren K-525-19; Cinnamene; Phenethylene; Phenylethene; Phenylethylene; Styrol (German); Styrole; Styrolene; Styropol SO; Vinylbenzene; Vinylbenzol; Ethenylbenzene; Cinnaminol; Cinnamol; Styrol; Benzene, vinyl-; Cinnamenol; Ethylene, phenyl-; NCI-C02200; Stirolo; Styreen; Styren; Styrene monomer; Vinylbenzen; Annamene; NSC 62785; ethenylbenzene (styrene); Vinylbenzene (styrene)
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
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 | SPB-5 | DB-5MS | DB-5 | DB-1 | CP-Sil 8CB-MS |
Column length (m) | 60. | 30. | 30. | 25. | 0. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.2 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 1. | 0.33 | 0.25 |
Tstart (C) | 40. | 35. | 50. | 50. | 40. |
Tend (C) | 230. | 225. | 290. | 300. | 280. |
Heat rate (K/min) | 3. | 10. | 10. | 4. | 4. |
Initial hold (min) | 2. | 5. | 1. | 2. | |
Final hold (min) | 10. | 25. | 10. | 5. | |
I | 897. | 895. | 915. | 914. | 895. |
Reference | Engel and Ratel, 2007 | Lozano P.R., Miracle E.R., et al., 2007 | Bylaite and Meyer, 2006 | Osorio, Alarcon, et al., 2006 | Elmore, Cooper, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5MS | HP-5 | CP-Sil 8CB-MS | CP-Sil 8CB-MS |
Column length (m) | 50. | 30. | 25. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 1.05 | 0.25 | 1. | 0.25 | 0.25 |
Tstart (C) | 35. | 60. | 40. | 40. | 40. |
Tend (C) | 220. | 250. | 280. | 280. | 280. |
Heat rate (K/min) | 8. | 4. | 5. | 4. | 4. |
Initial hold (min) | 15. | 2. | 2. | 2. | |
Final hold (min) | 5. | 20. | 5. | 5. | 5. |
I | 894. | 890. | 900. | 893. | 897. |
Reference | Insausti, Goñi, et al., 2005 | Pino, Mesa, et al., 2005 | Solina, Baumgartner, et al., 2005 | Hierro, de la Hoz, et al., 2004 | Bruna, Hierro, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | DB-5 | BPX-5 | SPB-5 | DB-1 |
Column length (m) | 50. | 30. | 50. | 30. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.33 | 1. | 0.5 | 0.25 | 1. |
Tstart (C) | 60. | 50. | 60. | 60. | 40. |
Tend (C) | 250. | 200. | 250. | 250. | 220. |
Heat rate (K/min) | 2. | 2.5 | 4. | 4. | 2. |
Initial hold (min) | 5. | 5. | 2. | 5. | |
Final hold (min) | 20. | 20. | 20. | ||
I | 870. | 895.2 | 907. | 880. | 874. |
Reference | Cavalli, Fernandez, et al., 2003 | Xu, van Stee, et al., 2003 | Bredie, Mottram, et al., 2002 | Pino, Marbot, et al., 2002 | Kim, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-Sulfur | CP Sil 5 CB | CP Sil 8 CB | DB-5 | SE-54 |
Column length (m) | 30. | 50. | 60. | 30. | 50. |
Carrier gas | He | He | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 4. | 0.4 | 0.25 | 1. | 1. |
Tstart (C) | 40. | 60. | 40. | 40. | 40. |
Tend (C) | 200. | 280. | 280. | 210. | 220. |
Heat rate (K/min) | 4. | 3. | 4. | 3. | 10. |
Initial hold (min) | 12.5 | 10. | 2. | 2. | |
Final hold (min) | 60. | 5. | |||
I | 880.3 | 871. | 898. | 893. | 890.0 |
Reference | de Lacy Costello, Evans, et al., 2001 | Pino, Marbot, et al., 2001 | Elmore, Mottram, et al., 2000 | Moio, Piombino, et al., 2000 | Kivi-Etelätalo, Kostiainen, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | SE-30 | SE-30 | DB-5 |
Column length (m) | 60. | 30. | 50. | 1.5 | 15. |
Carrier gas | He | He | |||
Substrate | Chromosorb W AW (80-100 mesh) | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.53 | |
Phase thickness (μm) | 0.25 | 0.25 | 1.5 | ||
Tstart (C) | 35. | 50. | 50. | 60. | 40. |
Tend (C) | 280. | 250. | 240. | 280. | 90. |
Heat rate (K/min) | 2. | 4. | 4. | 5. | 4. |
Initial hold (min) | 10. | ||||
Final hold (min) | 10. | ||||
I | 876. | 889. | 872. | 886. | 888. |
Reference | Specht and Baltes, 1994 | Gómez, Ledbetter, et al., 1993 | Misharina, Golovnya, et al., 1991 | Fischer and Kusch, 1990 | Morinaga, Hara, et al., 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|
Active phase | SE-54 | SE-54 | SE-54 | SE-30 |
Column length (m) | 25. | 25. | 25. | 3.0 |
Carrier gas | He | He | He | He |
Substrate | Celite 560 | |||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.15 | 0.15 | 0.15 | |
Tstart (C) | 40. | 40. | 40. | 100. |
Tend (C) | 280. | 280. | 280. | 250. |
Heat rate (K/min) | 5. | 5. | 5. | 20. |
Initial hold (min) | 1. | 1. | 1. | |
Final hold (min) | 15. | 15. | 15. | |
I | 892.6 | 892.6 | 892.6 | 888. |
Reference | Shapi and Hesso, 1990 | Shapi and Hesso, 1990 | Shapi and Hesso, 1990 | Haken and McKay, 1966 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Lozano P.R., Miracle E.R., et al., 2007
Lozano P.R.; Miracle E.R.; Krause A.J.; Drake M.; Cadwallader K.R.,
Effect of cold storage and packaging material on the major aroma components of sweet cream butter,
J. Agric. Food Chem., 2007, 55, 19, 7840-7846, https://doi.org/10.1021/jf071075q
. [all data]
Bylaite and Meyer, 2006
Bylaite, E.; Meyer, A.S.,
· Characterisation of volatile aroma compounds of orange juices by three dynamic and static headspace gas chromatography techniques,
Eur. Food Res. Technol., 2006, 222, 1-2, 176-184, https://doi.org/10.1007/s00217-005-0141-8
. [all data]
Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C.,
Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.),
J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c
. [all data]
Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D.,
Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb,
Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002
. [all data]
Insausti, Goñi, et al., 2005
Insausti, K.; Goñi, V.; Petri, E.; Gorraiz, C.; Beriain, M.J.,
Effect of weight at slaughter on the volatile compounds of cooked beef from Spanish cattle breeds,
Meat Sci., 2005, 70, 1, 83-90, https://doi.org/10.1016/j.meatsci.2004.12.003
. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B.,
Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein,
Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005
. [all data]
Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A.,
Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species,
Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001
. [all data]
Bruna, Hierro, et al., 2003
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A.,
Changes in selected biochemical and sensory parameters as affected by the superficial inoculation of Penicillium camemberti on dry fermented sausages,
Int. J. Food Microbiol., 2003, 85, 1-2, 111-125, https://doi.org/10.1016/S0168-1605(02)00505-6
. [all data]
Cavalli, Fernandez, et al., 2003
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.,
Comparison of static headspace, headspace solid phase microextraction, headspace sorptive extraction, and direct thermal desorption techniques on chemical composition of French olive oils,
J. Agric. Food Chem., 2003, 51, 26, 7709-7716, https://doi.org/10.1021/jf034834n
. [all data]
Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J.,
Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere,
Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003
. [all data]
Bredie, Mottram, et al., 2002
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E.,
Effect of temperature and pH on the generation of flavor volatiles in extrusion cooking of wheat flour,
J. Agric. Food Chem., 2002, 50, 5, 1118-1125, https://doi.org/10.1021/jf0111662
. [all data]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [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]
de Lacy Costello, Evans, et al., 2001
de Lacy Costello, B.P.J.; Evans, P.; Ewen, R.J.; Gunson, H.E.; Jones, P.R.H.; Ratcliffe, N.M.; Spencer-Phillips, P.T.N.,
Gas chromatography-mass spectrometry analyses of volatile organic compounds from potato tubers inoculated with Phytophthora infestans or Fusarium coeruleum,
Plant Pathol., 2001, 50, 4, 489-496, https://doi.org/10.1046/j.1365-3059.2001.00594.x
. [all data]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Hierro, E.,
Two-fibre solid-phase microextraction combined with gas chromatography-mass spectrometry for the analysis of volatile aroma compounds in cooked pork,
J. Chromatogr. A, 2000, 905, 1-2, 233-240, https://doi.org/10.1016/S0021-9673(00)00990-0
. [all data]
Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F.,
Odour-impact compounds of Gorgonzola cheese,
J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106
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Kivi-Etelätalo, Kostiainen, et al., 1997
Kivi-Etelätalo, E.; Kostiainen, O.; Kokko, M.,
Analysis of volatile organic compounds in air using retention indices together with a simple thermal desorption and cold trap method,
J. Chromatogr. A, 1997, 787, 1-2, 205-214, https://doi.org/10.1016/S0021-9673(97)00663-8
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Specht and Baltes, 1994
Specht, K.; Baltes, W.,
Identification of volatile flavor compounds with high aroma values from shallow-fried beef,
J. Agric. Food Chem., 1994, 42, 10, 2246-2253, https://doi.org/10.1021/jf00046a031
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Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L.,
Volatile compounds in apricot, plum, and their interspecific hybrids,
J. Agric. Food Chem., 1993, 41, 10, 1669-1676, https://doi.org/10.1021/jf00034a029
. [all data]
Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Yakovleva, V.N.; Vitt, S.V.,
Pyrazines formed in model glycerin-water systems,
Russ. Chem. Bull. (Engl. Transl.), 1991, 40, 9, 1742-1748, https://doi.org/10.1007/BF00960396
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Fischer and Kusch, 1990
Fischer, W.G.; Kusch, P.,
Automatic sampler for Curie-point pyrolysis-gas chromatography with on-column introduction of pyrolysates,
J. Chromatogr., 1990, 518, 9-19, https://doi.org/10.1016/S0021-9673(01)93158-9
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Morinaga, Hara, et al., 1990
Morinaga, M.; Hara, K.; Kageura, M.; Heida, Y.; Takamoto, M.; Kashimura, S.,
A simple, rapid and simultaneous analysis of complex volatile hydrocarbon mixtures in blood using gas chromatography/mass spectrometry with a wide-bore capillary column,
Z. Rechtsmed., 1990, 103, 8, 567-572, https://doi.org/10.1007/BF01261420
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Shapi and Hesso, 1990
Shapi, M.M.; Hesso, A.,
Thermal decomposition of polystyrene volatile compounds from large-scale pyrolysis,
J. Anal. Appl. Pyrolysis, 1990, 18, 2, 143-161, https://doi.org/10.1016/0165-2370(90)80004-8
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Haken and McKay, 1966
Haken, J.K.; McKay, T.R.,
The gas chromatographic analysis of N,N1-Dialkyl anilines and vinyl monomers in polyester resins,
J. Gas Chromatogr., 1966, 4, 4, 132-133, https://doi.org/10.1093/chromsci/4.4.132
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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