Cyclohexane, methyl-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChIKey: UAEPNZWRGJTJPN-UHFFFAOYSA-N
- CAS Registry Number: 108-87-2
- 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: Cyclohexylmethane; Hexahydrotoluene; Methylcyclohexane; Sextone B; Toluene hexahydride; Hexahydroxytoluene; Metylocykloheksan; Toluene, hexahydro-; UN 2296; NSC 9391
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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 | VF-5 MS | VF-5 MS | SPB-5 |
Column length (m) | 60. | 100. | 60. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1.0 | 0.50 | 0.25 | 0.25 | 1.00 |
Tstart (C) | 45. | 20. | 30. | 30. | 40. |
Tend (C) | 210. | 220. | 260. | 260. | 230. |
Heat rate (K/min) | 3.6 | 15. | 2. | 2. | 3. |
Initial hold (min) | 1.45 | 15. | 5. | ||
Final hold (min) | 2.72 | 30. | 28. | 28. | 10. |
I | 721. | 717. | 721. | 726. | 726. |
Reference | Bramston-Cook, 2013 | Supelco, 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Sivadier, Ratel, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PONA | PONA | SPB-5 | BP-1 | DB-5MS |
Column length (m) | 50. | 50. | 60. | 50. | 30. |
Carrier gas | Nitrogen | Nitrogen | He | He | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.20 | 0.32 | 0.22 | 0.25 |
Phase thickness (μm) | 0.50 | 0.50 | 1. | 0.75 | 0.25 |
Tstart (C) | 35. | 35. | 40. | 50. | 40. |
Tend (C) | 200. | 200. | 230. | 200. | 250. |
Heat rate (K/min) | 2. | 2. | 3. | 5. | 3. |
Initial hold (min) | 15. | 15. | 5. | 1. | |
Final hold (min) | 10. | 10. | 5. | ||
I | 715. | 721. | 725. | 728. | 719.7 |
Reference | Zhang, Ding, et al., 2009 | Zhang, Ding, et al., 2009 | Vasta, Ratel, et al., 2007 | 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 | DB-1 | DB-1 | DB-1 |
Column length (m) | 60. | 50. | 60. | 60. | 60. |
Carrier gas | Helium | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.20 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.50 | 1.2 | 0.25 | 0.25 |
Tstart (C) | 40. | 30. | 30. | 50. | 50. |
Tend (C) | 220. | 100. | 240. | 240. | 240. |
Heat rate (K/min) | 5. | 1. | 3. | 3. | 3. |
Initial hold (min) | 10. | 6. | 10. | ||
Final hold (min) | |||||
I | 715.75 | 717. | 721. | 723. | 725. |
Reference | Baraldi, Rapparini, et al., 1999 | Orav, Kailas, et al., 1999 | Ciccioli, Cecinato, et al., 1992 | Shiota, 1991 | Shiota, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | OV-1 | SP-2100 | DB-1 |
Column length (m) | 60. | 60. | 50. | 30. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.2 | 0.25 | 0.32 |
Phase thickness (μm) | 0.52 | ||||
Tstart (C) | 30. | 30. | 35. | 40. | 50. |
Tend (C) | 210. | 210. | 150. | 250. | 250. |
Heat rate (K/min) | 2. | 2. | 1.1 | 4. | 4. |
Initial hold (min) | 4. | 4. | 10. | 0.1 | |
Final hold (min) | 5. | ||||
I | 718. | 719. | 716.1 | 715. | 715. |
Reference | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 | Durand, Boscher, et al., 1987 | Alencar, Alves, et al., 1983 | Flath, Mon, et al., 1983 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | SF-96 |
Column length (m) | 111. |
Carrier gas | Nitrogen |
Substrate | |
Column diameter (mm) | 0.76 |
Phase thickness (μm) | |
Tstart (C) | |
Tend (C) | 130. |
Heat rate (K/min) | 3. |
Initial hold (min) | 8. |
Final hold (min) | 40. |
I | 717. |
Reference | Donetzhuber, Johansson, et al., 1976 |
Comment | 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]
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Sivadier, Ratel, et al., 2009
Sivadier, G.; Ratel, J.; Engel, E.,
Latency and persistence of diet volatile biomarkers in lamb fats,
J. Agric. Food Chem., 2009, 57, 2, 645-652, https://doi.org/10.1021/jf802467q
. [all data]
Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T.,
Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline,
Chromatographia, 2009, 70, 3/4, 511-518, https://doi.org/10.1365/s10337-009-1174-0
. [all data]
Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E.,
Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals,
J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n
. [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]
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]
Shiota, 1991
Shiota, H.,
Volatile components of pawpaw fruit (Asimina triloba Dunal.),
J. Agric. Food Chem., 1991, 39, 9, 1631-1635, https://doi.org/10.1021/jf00009a019
. [all data]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G.,
Volatile constituents of pineapple (Ananas Comosus [L.] Merr.)
in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]
Durand, Boscher, et al., 1987
Durand, J.P.; Boscher, Y.; Petroff, N.; Berthelin, M.,
Automatic Gas Chromatographic Determination of Gasoline Components. Application to Octane Number Determination,
J. Chromatogr., 1987, 395, 229-240, https://doi.org/10.1016/S0021-9673(01)94113-5
. [all data]
Alencar, Alves, et al., 1983
Alencar, J.W.; Alves, P.B.; Craveiro, A.A.,
Pyrolysis of tropical vegetable oils,
J. Agric. Food Chem., 1983, 31, 6, 1268-1270, https://doi.org/10.1021/jf00120a031
. [all data]
Flath, Mon, et al., 1983
Flath, R.A.; Mon, T.R.; Lorenz, G.; Whitten, C.J.; Mackley, J.W.,
Volatile components of Acacia sp. blossoms,
J. Agric. Food Chem., 1983, 31, 6, 1167-1170, https://doi.org/10.1021/jf00120a008
. [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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