Undecanal
- Formula: C11H22O
- Molecular weight: 170.2918
- IUPAC Standard InChI: InChI=1S/C11H22O/c1-2-3-4-5-6-7-8-9-10-11-12/h11H,2-10H2,1H3
- IUPAC Standard InChIKey: KMPQYAYAQWNLME-UHFFFAOYSA-N
- CAS Registry Number: 112-44-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: n-Undecanal; n-Undecyl aldehyde; Hendecanal; Hendecanaldehyde; Undecyl aldehyde; Undecylic aldehyde; 1-Undecanal; Aldehyde C-11; Aldehyde C-11, undecylic; C-11 Aldehyde, undecylic; Undecanaldehyde; NSC 22578
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Van Den Dool and Kratz 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 | RTX-Wax | BP-20 | HP-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 50. | 30. | 60. | 30. |
| Carrier gas | He | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 60. | 60. | 60. | 40. | 40. |
| Tend (C) | 230. | 220. | 220. | 265. | 265. |
| Heat rate (K/min) | 2. | 2. | 5. | 7. | 7. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 35. | 20. | 5. | 5. | |
| I | 1593. | 1606. | 1649. | 1622. | 1625. |
| Reference | Paolini, Muselli, et al., 2007 | Bousmaha, Boti, et al., 2006 | Flamini, Tebano, et al., 2006 | Gurbuz O., Rouseff J.M., et al., 2006 | Gurbuz O., Rouseff J.M., et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Megawax | RTX-Wax | Innowax | Supelcowax | Supelcowax |
| Column length (m) | 30. | 30. | 15. | 25. | 25. |
| Carrier gas | He | He | He | ||
| 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 | 0.25 |
| Tstart (C) | 40. | 45. | 35. | 35. | 35. |
| Tend (C) | 220. | 240. | 225. | 225. | 225. |
| Heat rate (K/min) | 2. | 3. | 4. | 4. | 4. |
| Initial hold (min) | 6. | 6. | 5. | 5. | 5. |
| Final hold (min) | 10. | 10. | 20. | 10. | 10. |
| I | 1580. | 1587. | 1610. | 1624. | 1624. |
| Reference | Verzera, Trozzi, et al., 2005 | Dugo, Mondello, et al., 2004 | Chisholm, Jell, et al., 2003 | Chisholm, Wilson, et al., 2003 | Chisholm, Wilson, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Megawax | ZB-Wax | BP-20 | BP-20 | DB-Wax |
| Column length (m) | 30. | 60. | 50. | 50. | 15. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.22 | 0.22 | 0.53 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1. |
| Tstart (C) | 40. | 40. | 60. | 60. | 40. |
| Tend (C) | 220. | 220. | 220. | 220. | 220. |
| Heat rate (K/min) | 2. | 3. | 2. | 2. | 5. |
| Initial hold (min) | 6. | 3. | |||
| Final hold (min) | 10. | 20. | 30. | ||
| I | 1580. | 1594. | 1598. | 1598. | 1630. |
| Reference | Verzera, Trozzi, et al., 2003 | Brunton, Cronin, et al., 2002 | Lota, de Rocca Serra, et al., 2002 | Lota, Serra, et al., 2001 | Peng, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Wax | Megawax | BP-20 | Carbowax 20M | DB-Wax |
| Column length (m) | 15. | 30. | 50. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.53 | 0.25 | 0.22 | 0.32 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.425 | 0.25 |
| Tstart (C) | 40. | 40. | 60. | 45. | 50. |
| Tend (C) | 220. | 220. | 230. | 300. | 230. |
| Heat rate (K/min) | 5. | 2. | 2. | 3. | 2. |
| Initial hold (min) | 3. | 6. | 3. | ||
| Final hold (min) | 30. | 10. | 35. | 20. | 60. |
| I | 1618. | 1580. | 1598. | 1598. | 1612. |
| Reference | Peng, 2000 | Verzera, Trozzi, et al., 2000 | Lota, Serra, et al., 1999 | Mondello, Dugo, et al., 1995 | Shiratsuchi, Shimoda, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Packed |
|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 30. | |
| Carrier gas | |||
| Substrate | Celite 545 | ||
| Column diameter (mm) | 0.25 | 0.25 | |
| Phase thickness (μm) | |||
| Tstart (C) | 50. | 50. | 75. |
| Tend (C) | 240. | 240. | 228. |
| Heat rate (K/min) | 2. | 2. | 4.6 |
| Initial hold (min) | |||
| Final hold (min) | |||
| I | 1594.7 | 1598.0 | 1606. |
| Reference | Chang, Sheng, et al., 1989 | Chang, Sheng, et al., 1989 | van den Dool and Kratz, 1963 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
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]
Bousmaha, Boti, et al., 2006
Bousmaha, L.; Boti, J.B.; Bekkara, F.A.; Castola, V.; Casanova, J.,
Infraspecific chemical variability of the essential oil of Lavandula dentata L. from Algeria,
Flavour Fragr. J., 2006, 21, 2, 368-372, https://doi.org/10.1002/ffj.1659
. [all data]
Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A.,
A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey,
Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3
. [all data]
Gurbuz O., Rouseff J.M., et al., 2006
Gurbuz O.; Rouseff J.M.; Rouseff R.L.,
Comparison of aroma volatiles in commercial Merlot and Cabernet Sauvignon wines using gas chromatography - Olfactometry and gas chromatography - Mass spectrometry,
J. Agric. Food Chem., 2006, 54, 11, 3990-3996, https://doi.org/10.1021/jf053278p
. [all data]
Verzera, Trozzi, et al., 2005
Verzera, A.; Trozzi, A.; Zappala, M.; Condurso, C.; Cotroneo, A.,
Essential Oil Composition of Citrus meyerii Y. Tan. and Citrus medica L. cv. Diamante and Their Lemon Hybrids,
J. Agric. Food Chem., 2005, 53, 12, 4890-4894, https://doi.org/10.1021/jf047879c
. [all data]
Dugo, Mondello, et al., 2004
Dugo, P.; Mondello, L.; Zappia, G.; Bonaccorsi, I.; Cotroneo, A.; Russo, M.T.,
The composition of the volatile fraction and the enantiomeric distribution of five volatile components of faustrime oil (Monocitrus australatica x Fortunella sp. x Citrus aurantifolia),
J. Essent. Oil Res., 2004, 16, 4, 328-333, https://doi.org/10.1080/10412905.2004.9698734
. [all data]
Chisholm, Jell, et al., 2003
Chisholm, M.G.; Jell, J.A.; Cass, D.M., Jr.,
Characterization of the major odorants found in the peel oil of Citrus reticulata Blanco cv. Clementine using gas chromatography-olfactometry,
Flavour Fragr. J., 2003, 18, 4, 275-281, https://doi.org/10.1002/ffj.1188
. [all data]
Chisholm, Wilson, et al., 2003
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M.,
Characterization of aroma volatiles in key lime essential oils (Cirtrus aurantifolia Swingle),
Flavour Fragr. J., 2003, 18, 2, 106-115, https://doi.org/10.1002/ffj.1172
. [all data]
Verzera, Trozzi, et al., 2003
Verzera, A.; Trozzi, A.; Gazea, F.; Cicciarelloi, G.; Cotroneo, A.,
Effects of rootstock on the composition of bergamot (Citrus bergamia Risso et Poiteau) essential oil,
J. Agric. Food Chem., 2003, 51, 1, 206-210, https://doi.org/10.1021/jf0206872
. [all data]
Brunton, Cronin, et al., 2002
Brunton, N.P.; Cronin, D.A.; Monahan, F.J.,
Volatile components associated with freshly cooked and oxidized off-flavours in turkey breast meat,
Flavour Fragr. J., 2002, 17, 5, 327-334, https://doi.org/10.1002/ffj.1087
. [all data]
Lota, de Rocca Serra, et al., 2002
Lota, M.-L.; de Rocca Serra, D.; Tomi, F.; Jacquemond, C.; Casanova, J.,
Volatile components of peel and leaf oils of lemon and lime species,
J. Agric. Food Chem., 2002, 50, 4, 796-805, https://doi.org/10.1021/jf010924l
. [all data]
Lota, Serra, et al., 2001
Lota, M.-L.; Serra, D.R.; Jacquemond, C.; Tomi, F.; Casanova, J.,
Chemical variability of peel and leaf essential oils of sour orange,
Flavour Fragr. J., 2001, 16, 2, 89-96, https://doi.org/10.1002/1099-1026(200103/04)16:2<89::AID-FFJ950>3.0.CO;2-D
. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Verzera, Trozzi, et al., 2000
Verzera, A.; Trozzi, A.; Cotroneo, A.; Lorenzo, D.; Dellacassa, E.,
Uruguayan essential oil. 12. Composition of Nova and Satsuma mandarin oils,
J. Agric. Food Chem., 2000, 48, 7, 2903-2909, https://doi.org/10.1021/jf990734z
. [all data]
Lota, Serra, et al., 1999
Lota, M.-L.; Serra, D.R.; Tomi, F.; Bessiere, J.-M.; Casanova, J.,
Chemical composition of peel and leaf essential oils of Citrus medica L. and C. limonimedica Lush.,
Flavour Fragr. J., 1999, 14, 3, 161-166, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<161::AID-FFJ801>3.0.CO;2-8
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y.,
Off-flavor compounds in spray-dried skim milk powder,
J. Agric. Food Chem., 1994, 42, 6, 1323-1327, https://doi.org/10.1021/jf00042a014
. [all data]
Chang, Sheng, et al., 1989
Chang, L.P.; Sheng, L.S.; Yang, M.Z.; An, D.K.,
Retention index of essential oil in temperature-programmed capillary column gas chromatography,
Acta Pharm. Sin., 1989, 24, 11, 847-852. [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, 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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