2-Undecanone
- Formula: C11H22O
- Molecular weight: 170.2918
- IUPAC Standard InChIKey: KYWIYKKSMDLRDC-UHFFFAOYSA-N
- CAS Registry Number: 112-12-9
- 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: Ketone, methyl nonyl; Methyl n-nonyl ketone; Methyl nonyl ketone; Nonyl methyl ketone; 2-Hendecanone; Undecanone-(2); Mgk dog & cat repellent; Undecan-2-one; Mgk dog and cat repellent
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Kovats' 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 | DB-5 | CP Sil 8 CB | CP Sil 8 CB | CP Sil 5 CB | CP Sil 8 CB |
Column length (m) | 30. | 30. | 30. | 25. | 30. |
Carrier gas | He | H2 | H2 | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.26 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.15 | 0.25 |
Tstart (C) | 60. | 50. | 50. | 50. | 50. |
Tend (C) | 246. | 220. | 220. | 230. | 220. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | 2. | 2. | 2. | ||
Final hold (min) | |||||
I | 1291. | 1285. | 1285. | 1272. | 1297. |
Reference | Adams, González Elizondo, et al., 2006 | Tayoub, Schwob, et al., 2006 | Tayoub, Schwob, et al., 2006, 2 | Ogunwande, Olawore, et al., 2004 | Schwob, Bessiere, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | SE-54 | DB-5 | SE-54 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.26 | 0.26 | 0.26 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 240. | 246. | 240. | 246. | 246. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | 20. | ||||
I | 1291. | 1291. | 1291. | 1291. | 1291. |
Reference | Mita, Tsitsimpikou, et al., 2002 | Adams, 2000 | Adams, 2000, 2 | Adams, 2000, 3 | Adams, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | DB-5 | Methyl Silicone | OV-101 |
Column length (m) | 30. | 30. | 30. | 12. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.23 | 0.13 | 0.13 | 0.5 | 0.23 |
Phase thickness (μm) | |||||
Tstart (C) | 50. | 30. | 30. | 70. | 80. |
Tend (C) | 200. | 280. | 280. | 250. | 200. |
Heat rate (K/min) | 3. | 10. | 10. | 4. | 2. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | 3. | 3. | 15. | ||
I | 1279. | 1274. | 1274. | 1256.3 | 1270. |
Reference | Fiorini, Fourasté, et al., 1997 | Ramarathnam, Rubin, et al., 1993 | Ramarathnam, Rubin, et al., 1993, 2 | Rao, Rajanikanth, et al., 1989 | Ohnishi and Shibamoto, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | OV-101 |
Column length (m) | 50. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.23 |
Phase thickness (μm) | |
Tstart (C) | 80. |
Tend (C) | 200. |
Heat rate (K/min) | 2. |
Initial hold (min) | |
Final hold (min) | |
I | 1274. |
Reference | Ohnishi and Shibamoto, 1984 |
Comment | MSDC-RI |
References
Go To: Top, Kovats' 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.
Adams, González Elizondo, et al., 2006
Adams, R.P.; González Elizondo, M.S.; González Elizondo, M.; Slinkman, E.,
DNA fingerprinting and terpenoid analysis of Juniperus blancoi var. huehuentensis (Cupressaceae), a new subalpine variety from Durango, Mexico,
Biochem. Syst. Ecol., 2006, 34, 3, 205-211, https://doi.org/10.1016/j.bse.2005.11.004
. [all data]
Tayoub, Schwob, et al., 2006
Tayoub, G.; Schwob, I.; Bessiere, J.-M.; Masotti, V.; Rabier, J.; Ruzzier, M.; Viano, J.,
Composition of volatile oils of Styrax (Styrax officinalis L.) leaves at different phenological stages,
Biochem. Syst. Ecol., 2006, 34, 9, 705-709, https://doi.org/10.1016/j.bse.2006.05.008
. [all data]
Tayoub, Schwob, et al., 2006, 2
Tayoub, G.; Schwob, I.; Bessière, J.-M.; Rabier, J.; Masotti, V.; J.; M.; Girard, G.; Viano, J.,
Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France,
Flavour Fragr. J., 2006, 21, 5, 809-812, https://doi.org/10.1002/ffj.1731
. [all data]
Ogunwande, Olawore, et al., 2004
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O.; König, W.A.,
Rare terpenoid esters from Hyparrhenia rufa (Nees) Stapf. growing wild in Nigeria,
Flavour Fragr. J., 2004, 19, 3, 239-243, https://doi.org/10.1002/ffj.1295
. [all data]
Schwob, Bessiere, et al., 2004
Schwob, I.; Bessiere, J.-M.; Masotti, V.; Viano, J.,
Changes in essential oil composition in Saint John's wort (Hypericum perforatum L.) aerial parts during its phenological cycle,
Biochem. Syst. Ecol., 2004, 32, 8, 735-745, https://doi.org/10.1016/j.bse.2003.12.005
. [all data]
Mita, Tsitsimpikou, et al., 2002
Mita, E.; Tsitsimpikou, C.; Tsiveleka, L.; Petrakis, P.V.; Ortiz, A.; Vagias, C.; Roussis, V.,
Seasonal Variation of Oleoresin Terpenoids from Pinus halepensis and Pinus pinea and Host Selection of the Scale Insect Marchalina hellenica (Homoptera, Coccoidea, Margarodidae, Coelostonidiinae),
Holzforschung, 2002, 56, 6, 572-578, https://doi.org/10.1515/HF.2002.087
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2
. [all data]
Adams, 2000, 2
Adams, R.P.,
Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7
. [all data]
Adams, 2000, 3
Adams, R.P.,
Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4
. [all data]
Adams, 1999
Adams, R.P.,
Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2
. [all data]
Fiorini, Fourasté, et al., 1997
Fiorini, C.; Fourasté, I.; David, B.; Bessière, J.M.,
Composition of the flower, leaf, and stem essential oils from Laurus nobilis L.,
Flavour Fragr. J., 1997, 12, 2, 91-93, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<91::AID-FFJ623>3.0.CO;2-3
. [all data]
Ramarathnam, Rubin, et al., 1993
Ramarathnam, N.; Rubin, L.J.; Diosady, L.L.,
Studies on meat flavor. 3. A novel method for trapping volatile components from uncured and cured pork,
J. Agric. Food Chem., 1993, 41, 6, 933-938, https://doi.org/10.1021/jf00030a019
. [all data]
Ramarathnam, Rubin, et al., 1993, 2
Ramarathnam, N.; Rubin, L.J.; Diosady, L.L.,
Studies on meat flavor. 4. Fractionation, characterization, and quantitation of volatiles from uncured and cured beef and chicken,
J. Agric. Food Chem., 1993, 41, 6, 939-945, https://doi.org/10.1021/jf00030a020
. [all data]
Rao, Rajanikanth, et al., 1989
Rao, A.S.; Rajanikanth, B.; Seshadri, R.,
Volatile aroma components of Curcuma amada Roxb.,
J. Agric. Food Chem., 1989, 37, 3, 740-743, https://doi.org/10.1021/jf00087a036
. [all data]
Ohnishi and Shibamoto, 1984
Ohnishi, S.; Shibamoto, T.,
Volatile compounds from heated beef fat and beef fat with glycine,
J. Agric. Food Chem., 1984, 32, 5, 987-992, https://doi.org/10.1021/jf00125a008
. [all data]
Notes
Go To: Top, Kovats' 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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