2-Tridecanone
- Formula: C13H26O
- Molecular weight: 198.3449
- IUPAC Standard InChIKey: CYIFVRUOHKNECG-UHFFFAOYSA-N
- CAS Registry Number: 593-08-8
- 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. - Species with the same structure:
- Other names: Mathyl undecyl kepoje; Methyl undecyl ketone; Tridecan-2-one; 2-Tridecankje; Methyl n-undecyl ketone; Tridecanone-2
- Information on this page:
- Other data available:
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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 | HP-5MS | RTX-1 | HP-5MS | HP-5MS | BP-1 |
Column length (m) | 30. | 60. | 30. | 20. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 80. | 60. | 60. |
Tend (C) | 250. | 230. | 300. | 240. | 220. |
Heat rate (K/min) | 2. | 2. | 4. | 5. | 2. |
Initial hold (min) | 8. | 4. | |||
Final hold (min) | 30. | 35. | 15. | 20. | |
I | 1497. | 1481. | 1497.3 | 1497. | 1476. |
Reference | Benkaci-Ali, Baaliouamer, et al., 2007 | Paolini, Muselli, et al., 2007 | Zeng, Zhao, et al., 2007 | Kallio, Jussila, et al., 2006 | Boti J.B., Koukoua G., et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-1 | SPB-5 | HP-5 | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 60. | 30. | 30. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.53 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 1.5 | 0.25 | 0.4 | 0.4 |
Tstart (C) | 60. | 100. | 60. | 60. | 60. |
Tend (C) | 230. | 250. | 280. | 280. | 280. |
Heat rate (K/min) | 2. | 5. | 3. | 3. | 3. |
Initial hold (min) | 10. | 10. | |||
Final hold (min) | 35. | 60. | 60. | ||
I | 1491. | 1499. | 1491. | 1480. | 1480. |
Reference | Paolini, Costa, et al., 2005 | Rodríguez-Burruezo, Kollmannsberger, et al., 2004 | Fokialakis, Melliou, et al., 2003 | Pino and Marbot, 2001 | Pino, Marbot, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-101 | DB-5 | OV-1 | OV-1 | DB-5 |
Column length (m) | 25. | 30. | 20. | 20. | 30. |
Carrier gas | He | H2 | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.2 | 1. | 0.3 | 0.3 | 1. |
Tstart (C) | 70. | 40. | 45. | 45. | 40. |
Tend (C) | 200. | 210. | 220. | 220. | 210. |
Heat rate (K/min) | 3. | 3. | 10. | 10. | 3. |
Initial hold (min) | 2. | 5. | 5. | ||
Final hold (min) | 10. | 10. | 10. | ||
I | 1475. | 1527. | 1479. | 1476. | 1527. |
Reference | Milos and Radonic, 2000 | Moio, Piombino, et al., 2000 | Valero, Sanz, et al., 1999 | Valero, Sanz, et al., 1999 | Moio and Addeo, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | HP-1 | HP-1 | SE-30 | OV-1 |
Column length (m) | 60. | 50. | 50. | 22. | 60. |
Carrier gas | H2 | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.30 | 0.25 |
Phase thickness (μm) | 0.25 | 1.05 | 1.05 | 1.0 | |
Tstart (C) | 50. | 40. | 40. | 60. | 50. |
Tend (C) | 250. | 260. | 260. | 250. | 225. |
Heat rate (K/min) | 2.5 | 2. | 2. | 2. | 1.5 |
Initial hold (min) | 5. | ||||
Final hold (min) | 50. | ||||
I | 1475. | 1476. | 1478. | 1474. | 1470. |
Reference | Stashenko, Villa, et al., 1995 | Kuo and Ho, 1992 | Kuo and Ho, 1992, 2 | de Frutos, Sanz, et al., 1991 | Chen and Ho, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | DB-5 | OV-101 | OV-1 | OV-1 | SE-30 |
Column length (m) | 30. | 2.5 | 183. | 183. | |
Carrier gas | He | N2 | |||
Substrate | Gas-Chrom Q | Celite | |||
Column diameter (mm) | 0.26 | 0.762 | |||
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 50. | 50. | 0. | 0. | 75. |
Tend (C) | 300. | 220. | 230. | 230. | 228. |
Heat rate (K/min) | 6. | 2. | 1. | 1. | |
Initial hold (min) | 4. | ||||
Final hold (min) | 20. | ||||
I | 1495. | 1482. | 1475. | 1477. | 1485. |
Reference | Rostad and Pereira, 1986 | Nixon, Wong, et al., 1979 | Schreyen, Dirinck, et al., 1976 | Schreyen, Dirinck, et al., 1976, 2 | van den Dool and Kratz, 1963 |
Comment | MSDC-RI | 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.
Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F.,
Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation,
Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773
. [all data]
Paolini, Muselli, et al., 2007
Paolini, J.; Muselli, A.; Bernardini, A.-F.; Bighelli, A.; Casanova, J.; Costa, J.,
Thymol derivatives from essential oil of Doronicum corsicum L.,
Flavour Fragr. J., 2007, 22, 6, 479-487, https://doi.org/10.1002/ffj.1824
. [all data]
Zeng, Zhao, et al., 2007
Zeng, Y.-X.; Zhao, C.-X.; Liang, Y.-Z.; Yang, H.; Fang, H.-Z.; Yi, L.-Z.; Zeng, Z.-D.,
Comparative analysis of volatile components from Clematis species growing in China,
Anal. Chim. Acta., 2007, 595, 1-2, 328-339, https://doi.org/10.1016/j.aca.2006.12.022
. [all data]
Kallio, Jussila, et al., 2006
Kallio, M.; Jussila, M.; Rissanen, T.; Anttila, P.; Hartonen, K.; Reissell, A.; Vreuls, R.; Adahchour, M.; Hyotylainen, T.,
Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry in the identification of organic compounds in atmospheric aerosols from coniferous forest,
J. Chromatogr. A, 2006, 1125, 2, 234-243, https://doi.org/10.1016/j.chroma.2006.05.050
. [all data]
Boti J.B., Koukoua G., et al., 2005
Boti J.B.; Koukoua G.; N'Guessan T.Y.; Muselli A.; Bernardini A.F.; Casanova J.,
Composition of the leaf, stem bark and root bark oils of Isolona cooperi investigated by GC (retention index), GC-MS and C-13-NMR spectroscopy,
Phytochem. Anal., 2005, 16, 5, 357-363, https://doi.org/10.1002/pca.857
. [all data]
Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A.,
Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131
. [all data]
Rodríguez-Burruezo, Kollmannsberger, et al., 2004
Rodríguez-Burruezo, A.; Kollmannsberger, H.; Prohens, J.; Nitz, S.; Nuez, F.,
Analysis of the volatile aroma constituents of parental and hybrid clones of pepino (Solanum muricatum),
J. Agric. Food Chem., 2004, 52, 18, 5663-5669, https://doi.org/10.1021/jf040107w
. [all data]
Fokialakis, Melliou, et al., 2003
Fokialakis, N.; Melliou, E.; Magiatis, P.; Harvala, C.; Mitaku, S.,
Composition of the steam volatiles of six Euphorbia spp. from Greece,
Flavour Fragr. J., 2003, 18, 1, 39-42, https://doi.org/10.1002/ffj.1148
. [all data]
Pino and Marbot, 2001
Pino, J.A.; Marbot, R.,
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g
. [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]
Milos and Radonic, 2000
Milos, M.; Radonic, A.,
Gas chromatography mass spectral analysis of free and glycosidically bound volatile compounds from Juniperus oxycedrus L. growing wild in Croatia,
Food Chem., 2000, 68, 3, 333-338, https://doi.org/10.1016/S0308-8146(99)00192-2
. [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
. [all data]
Valero, Sanz, et al., 1999
Valero, E.; Sanz, J.; Martinez-Castro, I.,
Volatile components in microwave- and conventionally-heated milk,
Food Chem., 1999, 66, 3, 333-338, https://doi.org/10.1016/S0308-8146(99)00069-2
. [all data]
Moio and Addeo, 1998
Moio, L.; Addeo, F.,
Grana Padano cheese aroma,
J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768
. [all data]
Stashenko, Villa, et al., 1995
Stashenko, E.E.; Villa, H.S.; Combariza, M.Y.,
Comparative study of Colombian rue oils by high resolution gas chromatography using different detection systems,
J. Microcolumn Sep., 1995, 7, 2, 117-122, https://doi.org/10.1002/mcs.1220070204
. [all data]
Kuo and Ho, 1992
Kuo, M.-C.; Ho, C.-T.,
Volatile constituents of the distilled oils of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (Allium fistulosum L. variety Caespitosum),
J. Agric. Food Chem., 1992, 40, 1, 111-117, https://doi.org/10.1021/jf00013a021
. [all data]
Kuo and Ho, 1992, 2
Kuo, M.-C.; Ho, C.-T.,
Volatile constituents of the solvent extracts of Welsh onions (Allium fistulosum L. variety Maichuon) and scallions (A. fistulosum L. variety caepitosum),
J. Agric. Food Chem., 1992, 40, 10, 1906-1910, https://doi.org/10.1021/jf00022a036
. [all data]
de Frutos, Sanz, et al., 1991
de Frutos, M.; Sanz, J.; Martinez-Castro, I.,
Characterization of artisanal cheeses by GC and GC/MS analysis of their medium volatility (SDE) fraction,
J. Agric. Food Chem., 1991, 39, 3, 524-530, https://doi.org/10.1021/jf00003a019
. [all data]
Chen and Ho, 1987
Chen, C.-C.; Ho, C.-T.,
Gas chromatographic analysis of thermal degradation products of gingerol compounds in steam-distilled oil from ginger (Zingiber officinale Roscoe),
J. Chromatogr., 1987, 387, 499-504, https://doi.org/10.1016/S0021-9673(01)94559-5
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Nixon, Wong, et al., 1979
Nixon, L.N.; Wong, E.; Johnson, C.B.; Birch, E.J.,
Nonacidic constituents of volatiles from cooked mutton,
J. Agric. Food Chem., 1979, 27, 2, 355-359, https://doi.org/10.1021/jf60222a044
. [all data]
Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Analysis of leek volatiles by headspace condensation,
J. Agric. Food Chem., 1976, 24, 6, 1147-1152, https://doi.org/10.1021/jf60208a023
. [all data]
Schreyen, Dirinck, et al., 1976, 2
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Volatile flavor components of leek,
J. Agric. Food Chem., 1976, 24, 2, 336-341, https://doi.org/10.1021/jf60204a056
. [all data]
van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
. [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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