1-Hexene, 3,4-dimethyl-
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChI: InChI=1S/C8H16/c1-5-7(3)8(4)6-2/h5,7-8H,1,6H2,2-4H3
- IUPAC Standard InChIKey: OWWRMMIWAOBBFK-UHFFFAOYSA-N
- CAS Registry Number: 16745-94-1
- 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: 3,4-Dimethyl-1-hexene; 3,4-Dimethylhex-1-ene
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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. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1990. |
| NIST MS number | 113920 |
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Petrocol DH | 30. | 744.3 | Soják, Addová, et al., 2004 | 150. m/0.25 mm/1. μm, H2 |
| Capillary | Petrocol DH | 30. | 745.4 | Soják, Addová, et al., 2004 | 150. m/0.25 mm/1. μm, H2 |
| Capillary | Squalane | 30. | 737.9 | Soják, Addová, et al., 2004 | He; Column length: 93. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 30. | 739.2 | Soják, Addová, et al., 2004 | He; Column length: 93. m; Column diameter: 0.25 mm |
| Capillary | DB-1 | 40. | 745. | Lubeck and Sutton, 1984 | 60. m/0.264 mm/0.25 μm, H2 |
| Capillary | HP-PONA | 40. | 745. | Lubeck and Sutton, 1984 | 50. m/0.21 mm/0.5 μm, H2 |
| Capillary | DB-1 | 40. | 746. | Lubeck and Sutton, 1984 | 60. m/0.264 mm/0.25 μm, H2 |
| Capillary | HP-PONA | 40. | 746. | Lubeck and Sutton, 1984 | 50. m/0.21 mm/0.5 μm, H2 |
| Capillary | Squalane | 40. | 741. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
| Capillary | Squalane | 40. | 742. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
| Packed | Squalane | 30. | 755.5 | Tourres, 1967 | H2; Column length: 10. m |
| Packed | Squalane | 50. | 756. | Tourres, 1967 | H2; Column length: 10. m |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Methyl Silicone | 50. | 756. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH | 741. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
| Capillary | Petrocol DH | 742. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
| Capillary | PONA | 746. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
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.
Soják, Addová, et al., 2004
Soják, L.; Addová, G.; Kubinec, R.; Kraus, A.; Bohác, A.,
Capillary gas chromatography-mass spectrometry of all 93 acyclic octenes and their identification in fluid catalytic cracked gasoline,
J. Chromatogr. A, 2004, 1025, 2, 237-253, https://doi.org/10.1016/j.chroma.2003.10.112
. [all data]
Lubeck and Sutton, 1984
Lubeck, A.J.; Sutton, D.L.,
Kovats Retention Indices of Selected Olefins on Bonded Phase Fused Silica Capillaries,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1984, 7, 9, 542-544, https://doi.org/10.1002/jhrc.1240070913
. [all data]
Matukuma, 1969
Matukuma, A.,
Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data,
Gas Chromatogr., Int. Symp. Anal. Instrum. Div Instrum Soc. Amer., 1969, 7, 55-75. [all data]
Tourres, 1967
Tourres, D.A.,
Structural analysis of industrial butene dimers by gas chromatography,
J. Gas Chromatogr., 1967, 5, 1, 35-40, https://doi.org/10.1093/chromsci/5.1.35
. [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]
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]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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