Cyclohexane
- Formula: C6H12
- Molecular weight: 84.1595
- IUPAC Standard InChI: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
- IUPAC Standard InChIKey: XDTMQSROBMDMFD-UHFFFAOYSA-N
- CAS Registry Number: 110-82-7
- 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. - Isotopologues:
- Other names: Benzene, hexahydro-; Hexahydrobenzene; Hexamethylene; Hexanaphthene; Cicloesano; Cykloheksan; Rcra waste number U056; UN 1145; NSC 406835
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Normal alkane 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 | Polydimethyl siloxane: CP-Sil 5 CB | Petrocol DH | OV-101 | BP-1 | DB-5MS |
| Column length (m) | 60. | 100. | 25. | 50. | 30. |
| Carrier gas | Helium | Helium | Nitrogen | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.22 | 0.25 |
| Phase thickness (μm) | 1.0 | 0.50 | 0.25 | 0.75 | 0.25 |
| Tstart (C) | 45. | 20. | 60. | 50. | 40. |
| Tend (C) | 210. | 220. | 240. | 200. | 250. |
| Heat rate (K/min) | 3.6 | 15. | 6. | 5. | 3. |
| Initial hold (min) | 1.45 | 15. | 1. | ||
| Final hold (min) | 2.72 | 30. | |||
| I | 658. | 651. | 666. | 662. | 654.9 |
| Reference | Bramston-Cook, 2013 | Supelco, 2012 | Zenkevich, Eliseenkov, et al., 2009 | Health Safety Executive, 2000 | Shoenmakers, Oomen, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Methyl Silicone | OV-101 | SE-54 | DB-1 | SE-30 |
| Column length (m) | 60. | 50. | 25. | 60. | 50. |
| Carrier gas | Helium | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.2 | 0.32 | 0.5 |
| Phase thickness (μm) | 0.25 | 0.50 | 0.5 | 1.2 | |
| Tstart (C) | 40. | 30. | 35. | 30. | 40. |
| Tend (C) | 220. | 100. | 250. | 240. | 170. |
| Heat rate (K/min) | 5. | 1. | 5. | 3. | 3. |
| Initial hold (min) | 10. | 6. | 2. | 10. | 3. |
| Final hold (min) | |||||
| I | 648.95 | 658. | 670. | 658. | 651. |
| Reference | Baraldi, Rapparini, et al., 1999 | Orav, Kailas, et al., 1999 | Bellesia, Pinetti, et al., 1996 | Ciccioli, Cecinato, et al., 1992 | Heydanek and McGorrin, 1981 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed | Capillary |
|---|---|---|
| Active phase | Apiezon L | SF-96 |
| Column length (m) | 2. | 111. |
| Carrier gas | Nitrogen | |
| Substrate | Chromosorb G-AW-DMCS | |
| Column diameter (mm) | 0.76 | |
| Phase thickness (μm) | ||
| Tstart (C) | 25. | |
| Tend (C) | 130. | |
| Heat rate (K/min) | 10. | 3. |
| Initial hold (min) | 8. | |
| Final hold (min) | 40. | |
| I | 668. | 659. |
| Reference | Dahlmann, Köser, et al., 1979 | Donetzhuber, Johansson, et al., 1976 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
Zenkevich, Eliseenkov, et al., 2009
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N.,
Chromatographic Identification of Cyclohexane Chlorination Products by an Additive Scheme for the Prediction of Retention Indices,
Chromatographia, 2009, 70, 5/6, 839-849, https://doi.org/10.1365/s10337-009-1213-x
. [all data]
Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]
Shoenmakers, Oomen, et al., 2000
Shoenmakers, P.J.; Oomen, J.L.M.M.; Blomberg, J.; Genuit, W.; van Velzen, G.,
Comparison of comprehensive two-dimensional gas chromatography and gas chromatography-mass spectrometry for the characterization of complex hydrocarbon mixtures,
J. Chromatogr. A, 2000, 892, 1-2, 29-46, https://doi.org/10.1016/S0021-9673(00)00744-5
. [all data]
Baraldi, Rapparini, et al., 1999
Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P.,
Volatile organic compound emissions from flowers of the most occurring and economically important species of fruit trees,
Phys. Chem. Earth, 1999, 24, 6, 729-732, https://doi.org/10.1016/S1464-1909(99)00073-8
. [all data]
Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C,
Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]
Bellesia, Pinetti, et al., 1996
Bellesia, F.; Pinetti, A.; Bianchi, A.; Tirillini, B.,
Volatile compounds of the white truffle (Tuber magnaturn Pico) from middle Italy,
Flavour Fragr. J., 1996, 11, 4, 239-243, https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<239::AID-FFJ573>3.0.CO;2-A
. [all data]
Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation,
J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205
. [all data]
Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats,
J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016
. [all data]
Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H.,
Multiple korrelation von retentionsindizes,
Chromatographia, 1979, 12, 10, 665-671, https://doi.org/10.1007/BF02302943
. [all data]
Donetzhuber, Johansson, et al., 1976
Donetzhuber, A.; Johansson, K.; Sandstroem, C.,
Gas phase characterization of wood, pulp, and paper,
Appl. Polymer Symp., 1976, 28, 889-901. [all data]
Notes
Go To: Top, Normal alkane 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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