1-Undecene
- Formula: C11H22
- Molecular weight: 154.2924
- IUPAC Standard InChI: InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
- IUPAC Standard InChIKey: DCTOHCCUXLBQMS-UHFFFAOYSA-N
- CAS Registry Number: 821-95-4
- 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: n-1-Undecene; Undecene-1; α-Undecene; Undec-1-ene
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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 | Optima-5 MS | Petrocol DH | HP-5 | Ultra-ALLOY-5 |
| Column length (m) | 60. | 30. | 100. | 60. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1.0 | 0.25 | 0.50 | 0.25 | 0.25 |
| Tstart (C) | 45. | 35. | 20. | 35. | 40. |
| Tend (C) | 210. | 250. | 220. | 220. | 320. |
| Heat rate (K/min) | 3.6 | 10. | 15. | 10. | 20. |
| Initial hold (min) | 1.45 | 3. | 15. | 1. | 2. |
| Final hold (min) | 2.72 | 5. | 30. | 15. | 13. |
| I | 1093. | 1092. | 1089. | 1089. | 1091. |
| Reference | Bramston-Cook, 2013 | Goeminne, Vandendriessche, et al., 2012 | Supelco, 2012 | Piyachaiseth, Jirapakkul, et al., 2011 | Tsuge, Ohtan, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Ultra-ALLOY-5 | Ultra-ALLOY-5 | Ultra-ALLOY-5 | DB-5 MS | Petrocol DH |
| Column length (m) | 30. | 30. | 30. | 30. | 150. |
| Carrier gas | Helium | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1.0 |
| Tstart (C) | 40. | 40. | 40. | 50. | 40. |
| Tend (C) | 320. | 320. | 320. | 220. | 300. |
| Heat rate (K/min) | 20. | 20. | 20. | 3. | 1. |
| Initial hold (min) | 2. | 2. | 2. | 2. | |
| Final hold (min) | 13. | 13. | 13. | 70. | |
| I | 1092. | 1092. | 1092. | 1091. | 1089. |
| Reference | Tsuge, Ohtan, et al., 2011 | Tsuge, Ohtan, et al., 2011 | Tsuge, Ohtan, et al., 2011 | Shimizu, Imayoshi, et al., 2009 | Sojak, Kubinec, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-5MS | CBP-1 | OV-1 | HP-5 |
| Column length (m) | 30. | 30. | 25. | ||
| Carrier gas | N2 | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.3 | ||
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 60. | 40. | 60. | 50. | 35. |
| Tend (C) | 220. | 250. | 240. | 160. | 200. |
| Heat rate (K/min) | 5. | 3. | 4. | 2. | 6. |
| Initial hold (min) | 10. | 1. | 2. | ||
| Final hold (min) | |||||
| I | 1095. | 1088.6 | 1089. | 1088. | 1092. |
| Reference | Bertoli, Menichini, et al., 2003 | Shoenmakers, Oomen, et al., 2000 | Labuckas, Zygadlo, et al., 1999 | Orav, Kailas, et al., 1999 | Larsen and Frisvad, 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Packed |
|---|---|---|---|---|---|
| Active phase | Cross-Linked Methylsilicone | DB-1 | DB-1 | SP-2100 | Apiezon L |
| Column length (m) | 25. | 30. | 30. | 30. | 2. |
| Carrier gas | He | He | He | He | |
| Substrate | Chromosorb G-AW-DMCS | ||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 35. | 50. | 50. | 40. | 25. |
| Tend (C) | 225. | 240. | 240. | 250. | |
| Heat rate (K/min) | 4. | 5. | 5. | 4. | 10. |
| Initial hold (min) | 3. | 3. | 3. | ||
| Final hold (min) | |||||
| I | 1088. | 1097. | 1100. | 1086. | 1090. |
| Reference | Bravo and Hotchkiss, 1993 | Shiota, 1993 | Shiota, 1993 | Alencar, Alves, et al., 1983 | Dahlmann, Köser, et al., 1979 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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]
Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J.,
Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis,
Respiratory Res., 2012, 13, 87, 1-9. [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]
Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S.,
Aroma compounds of flash-fried rice,
Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]
Tsuge, Ohtan, et al., 2011
Tsuge, S.; Ohtan, H.; Watanabe, C.,
Pyrolysis - GC/MS Data Book of Synthetic Polymers, Elsevier, 2011, 420. [all data]
Shimizu, Imayoshi, et al., 2009
Shimizu, Y.; Imayoshi, Y.; Kato, M.; Maeda, K.; Iwabuchi, H.; Shimomura, K.,
Volatiles from leaves of field-grown plants and shoot cultures of Gynura bicolor DC,
Flavour Fragr. J., 2009, 24, 5, 251-258, https://doi.org/10.1002/ffj.1938
. [all data]
Sojak, Kubinec, et al., 2006
Sojak, L.; Kubinec, R.; Jurdakova, H.; Hajekova, E.; Bajus, M.,
GC-MS of polyethylene and polypropylene thermal cracking produxts,
Petroleum Coal, 2006, 48, 1, 1-14. [all data]
Bertoli, Menichini, et al., 2003
Bertoli, A.; Menichini, F.; Mazzetti, M.; Spinelli, G.; Morelli, I.,
Volatile constituents of the leaves and flowers of Hypericum triquetrifolium Turra,
Flavour Fragr. J., 2003, 18, 2, 91-94, https://doi.org/10.1002/ffj.1161
. [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]
Labuckas, Zygadlo, et al., 1999
Labuckas, D.O.; Zygadlo, J.A.; Faillaci, S.M.; Espinar, L.A.,
Constituents of the volatile oil of Porophyllum obscurum (Spreng.) D.C.,
Flavour Fragr. J., 1999, 14, 2, 107-108, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<107::AID-FFJ799>3.0.CO;2-E
. [all data]
Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
Composition of the oil from waste tires. 2. Fraction boiling at 160-180 0C,
Proc. Estonian Acad. Sci. Chem., 1999, 48, 3, 136-140. [all data]
Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C.,
Characterization of volatile metabolites from 47 Penicillium taxa,
Mycol. Res., 1995, 99, 10, 1153-1166, https://doi.org/10.1016/S0953-7562(09)80271-2
. [all data]
Bravo and Hotchkiss, 1993
Bravo, A.; Hotchkiss, J.H.,
Identification of volatile compounds resulting from the thermal oxidation of polyethylene,
J. Appl. Polym. Sci., 1993, 47, 10, 1741-1748, https://doi.org/10.1002/app.1993.070471004
. [all data]
Shiota, 1993
Shiota, H.,
New esteric components in the volatiles of banana fruit (Musa sapientum L.),
J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046
. [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]
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]
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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