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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Normal alkane RI, 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 | Innowax | DB-Wax | HP-Wax | TC-FFAP | BP-20 |
Column length (m) | 30. | 30. | 30. | 50. | |
Carrier gas | N2 | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.50 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 60. | 50. | 60. | 60. |
Tend (C) | 200. | 230. | 250. | 220. | 220. |
Heat rate (K/min) | 10. | 3. | 5. | 3. | 2. |
Initial hold (min) | 5. | ||||
Final hold (min) | 15. | 10. | 30. | 20. | |
I | 1807. | 1845. | 1793. | 1818. | 1808. |
Reference | Kaypak and Avsar, 2008 | Kobayashi, Kagawa, et al., 2008 | Fredj, Marzouk, et al., 2007 | Kurose, Okamura, et al., 2007 | Boti, Yao, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax | TC-FFAP | Supelcowax-10 | Supelcowax-10 | HP-FFAP |
Column length (m) | 50. | 60. | 60. | 30. | 25. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.53 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.4 | 1. | 0.25 | 0.52 |
Tstart (C) | 60. | 60. | 40. | 40. | 60. |
Tend (C) | 250. | 220. | 240. | 210. | 240. |
Heat rate (K/min) | 2. | 3. | 4. | 2. | 5. |
Initial hold (min) | 2. | 2. | 1. | ||
Final hold (min) | 60. | 30. | 20. | 33. | 5. |
I | 1786. | 1818. | 1836. | 1813. | 1793. |
Reference | Bendimerad and Bendiab, 2005 | Kurose and Yatagai, 2005 | Rochat and Chaintreau, 2005 | Lopez Arze, Collin, et al., 2004 | Qian and Reineccius, 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | CP-Wax 52CB | Supelcowax-10 | DB-Wax | CP-Wax 52CB |
Column length (m) | 60. | 50. | 30. | 30. | 25. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.30 | 0.32 | 0.53 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | ||
Tstart (C) | 40. | 40. | 70. | 60. | 60. |
Tend (C) | 220. | 220. | 240. | 210. | 240. |
Heat rate (K/min) | 2. | 3. | 5. | 4. | 6. |
Initial hold (min) | 5. | 8. | 2. | ||
Final hold (min) | 20. | 10. | |||
I | 1828. | 1792. | 1801. | 1805. | 1802. |
Reference | Jiang and Kubota, 2001 | Chagonda, Makanda, et al., 2000 | Kim, Kim, et al., 2000 | Iwatsuki, Mizota, et al., 1999 | Chisowa, Hall, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | Carbowax 20M | SP-1000 | DB-Wax |
Column length (m) | 60. | 50. | 50. | 25. | 60. |
Carrier gas | H2 | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.2 | 0.32 |
Phase thickness (μm) | 0.25 | 0.43 | |||
Tstart (C) | 60. | 60. | 60. | 60. | 50. |
Tend (C) | 220. | 180. | 180. | 190. | 250. |
Heat rate (K/min) | 3. | 2. | 2. | 4. | 4. |
Initial hold (min) | 4. | 4. | 0.1 | ||
Final hold (min) | 30. | 5. | |||
I | 1803. | 1787. | 1787. | 1819. | 1806. |
Reference | Werkhoff, Güntert, et al., 1998 | Kawakami, Kobayashi, et al., 1993 | Kawakami and Kobayashi, 1991 | De Llano D.G., Ramos M., et al., 1990 | Binder and Flath, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Kaypak and Avsar, 2008
Kaypak, D.; Avsar, Y.K.,
Volatile and odor-active compounds of tuzlu yoghurt,
Asian J. Chem., 2008, 20, 5, 3641-3648. [all data]
Kobayashi, Kagawa, et al., 2008
Kobayashi, A.; Kagawa, S.; Ishikawa, H.; Matsubara, H.; Matsui, T.; Matsumoto, K.,
Identification of plastic off-odor from linear-low density polyethylene,
Nippon Hoso Gakkaishi, 2008, 17, 6, 427-432. [all data]
Fredj, Marzouk, et al., 2007
Fredj, M.B.H.; Marzouk, B.; Chraief, I.; Boukef, K.; Marzouk, Z.,
Analysis of Tunisian Ruta graveolens L. oils from Jemmel,
Journal of Food, Agriculture Environment, 2007, 5, 1, 52-55. [all data]
Kurose, Okamura, et al., 2007
Kurose, K.; Okamura, D.; Yatagai, M.,
Composition of the essential oils from the leaves of nine Pinus species and the cones of three of Pinus species,
Flavour Fragr. J., 2007, 22, 1, 10-20, https://doi.org/10.1002/ffj.1609
. [all data]
Boti, Yao, et al., 2006
Boti, J.B.; Yao, P.A.; Koukoua, G.; N'Guessan, T.Y.; Casanova, J.,
Components and chemical variability of Isolona campanulata Engler Diels leaf oil,
Flavour Fragr. J., 2006, 21, 1, 166-170, https://doi.org/10.1002/ffj.1555
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Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u
. [all data]
Kurose and Yatagai, 2005
Kurose, K.; Yatagai, M.,
Components of the essential oils of Azadirachta indica A. Juss, Azadirachta siamensis Velton, and Azadirachta excelsa (Jack) Jacobs and their comparison,
J. Wood Sci., 2005, 51, 2, 185-188, https://doi.org/10.1007/s10086-004-0640-4
. [all data]
Rochat and Chaintreau, 2005
Rochat, S.; Chaintreau, A.,
Carbonyl Odorants Contributing to the In-Oven Roast Beef Top Note,
J. Agric. Food Chem., 2005, 53, 24, 9578-9585, https://doi.org/10.1021/jf058089l
. [all data]
Lopez Arze, Collin, et al., 2004
Lopez Arze, J.B.; Collin, G.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H.,
Essential oils from Bolivia. II. Asteraceae: Ophryosporus heptanthus (Wedd.) H. Rob. et King,
J. Essent. Oil Res., 2004, 16, 4, 374-376, https://doi.org/10.1080/10412905.2004.9698747
. [all data]
Qian and Reineccius, 2002
Qian, M.; Reineccius, G.,
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1
. [all data]
Jiang and Kubota, 2001
Jiang, L.; Kubota, K.,
Formation by mechanical stimulus of the flavor compounds in young leaves of Japanese pepper (Xanthoxylum piperitum DC.),
J. Agric. Food Chem., 2001, 49, 3, 1353-1357, https://doi.org/10.1021/jf001166m
. [all data]
Chagonda, Makanda, et al., 2000
Chagonda, L.S.; Makanda, C.; Chalchat, J.-C.,
The essential oils of wild and cultivated Cymbopogon validus (Stapf) Stapf ex Burtt Davy and Elionurus muticus (Spreng.) Kunth from Zimbabwe,
Flavour Fragr. J., 2000, 15, 2, 100-104, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<100::AID-FFJ874>3.0.CO;2-Y
. [all data]
Kim, Kim, et al., 2000
Kim, H.-J.; Kim, K.; Kim, N.-S.; Lee, D.-S.,
Determination of floral fragrances of Rosa hybrida using solid-phase trapping-solvent extraction and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2000, 902, 2, 389-404, https://doi.org/10.1016/S0021-9673(00)00863-3
. [all data]
Iwatsuki, Mizota, et al., 1999
Iwatsuki, K.; Mizota, Y.; Kubota, T.; Nishimura, O.; Masuda, H.; Sotoyama, K.; Tomita, M.,
Aroma extract dilution analysis. Evluation of aroma of pasteurized and UHT processed milk by aroma extract dilution analysis,
Nippon Shokuhin Kagaku Kogaku Kaishi, 1999, 46, 9, 587-597, https://doi.org/10.3136/nskkk.46.587
. [all data]
Chisowa, Hall, et al., 1998
Chisowa, E.H.; Hall, D.R.; Farman, D.I.,
Volatile constituents of the essential oil of Cymbopogon citratus Stapf gown in Zambia,
Flavour Fragr. J., 1998, 13, 1, 29-30, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<29::AID-FFJ682>3.0.CO;2-S
. [all data]
Werkhoff, Güntert, et al., 1998
Werkhoff, P.; Güntert, M.; Krammer, G.; Sommer, H.; Kaulen, J.,
Vacuum headspace method in aroma research: flavor chemistry of yellow passion fruits,
J. Agric. Food Chem., 1998, 46, 3, 1076-1093, https://doi.org/10.1021/jf970655s
. [all data]
Kawakami, Kobayashi, et al., 1993
Kawakami, M.; Kobayashi, A.; Kator, K.,
Volatile constituents of Rooibos tea (Aspalathus linearis) as affected by extraction process,
J. Agric. Food Chem., 1993, 41, 4, 633-636, https://doi.org/10.1021/jf00028a023
. [all data]
Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016
. [all data]
De Llano D.G., Ramos M., et al., 1990
De Llano D.G.; Ramos M.; Polo C.; Sanz J.; Martinez-Castro I.,
Evolution of the volatile components of an artisanal blue cheese during ripening,
J. Dairy Sci., 1990, 73, 7, 1676-1683, https://doi.org/10.3168/jds.S0022-0302(90)78842-X
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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