2-Undecanol
- Formula: C11H24O
- Molecular weight: 172.3077
- IUPAC Standard InChI: InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
- IUPAC Standard InChIKey: XMUJIPOFTAHSOK-UHFFFAOYSA-N
- CAS Registry Number: 1653-30-1
- 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: sec-Undecyl Alcohol; Methyl nonyl carbinol; Undecan-2-ol; 2-Hydroxyundecane; Undecylic alcohol, sec-
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| State | gas |
| Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, Gas Chromatography, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Japan AIST/NIMC Database- Spectrum MS-NW-2011 |
| NIST MS number | 230933 |
Gas Chromatography
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 165. | 1706. | Singliar, 1972 | Column length: 2.55 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1287. | Eri, Khoo, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: -20C (5min) => 10C/min => 100C => 4C/min => 200C => 10C/min => 280C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1706. | Osorio, Alarcon, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
| Capillary | LM-120 | 1723. | Pinto, Guedes, et al., 2006 | 50. m/0.25 mm/0.5 μm, 3. K/min, 240. C @ 30. min; Tstart: 50. C |
| Capillary | ZB-Wax | 1723. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min |
| Capillary | Supelcowax-10 | 1726. | Chung and Cadwallader, 1993 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min |
| Capillary | DB-Wax | 1712. | Suárez, Duque, et al., 1991 | 30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
| Capillary | DB-Wax | 1717. | Suárez, Duque, et al., 1991 | 30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
| Capillary | DB-Wax | 1712. | Suárez, Duque, et al., 1991 | 30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
| Capillary | DB-Wax | 1717. | Suárez, Duque, et al., 1991 | 30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
| Capillary | Supelcowax-10 | 1723. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
| Capillary | Supelcowax-10 | 1724. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1710. | Ferrari, Lablanquie, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 1287. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
| Capillary | CP Sil 5 CB | 1294. | Lis and Milczarek, 2006 | 30. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 50. C; Tend: 300. C |
| Capillary | Ultra-2 | 1304. | Schlumpberger B.O., Clery R.A., et al., 2006 | 50. m/0.25 mm/0.32 μm, He, 2. K/min; Tstart: 50. C; Tend: 270. C |
| Capillary | BPX5 | 1310. | Dickschat, Bode, et al., 2005 | 25. m/0.22 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min; Tend: 320. C |
| Capillary | HP-5MS | 1303. | Setzer, Noletto, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 3. K/min; Tend: 280. C |
| Capillary | RTX-1 | 1288. | Lis, Boczek, et al., 2004 | 30. m/0.32 mm/0.25 μm, N2, 4. K/min; Tstart: 60. C; Tend: 300. C |
| Capillary | DB-5MS | 1311. | Congiu, Falconieri, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | CBP-1 | 1298. | Lamarque, Maestri, et al., 1998 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C |
| Capillary | SE-30 | 1270. | Yaacob, Abdullah, et al., 1989 | 4. K/min; Column length: 10. m; Column diameter: 0.25 mm; Tstart: 20. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-1 | 1285. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
| Capillary | BPX-5 | 1309. | se Souza, Cardeal, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min) |
| Capillary | BPX-5 | 1311. | se Souza, Cardeal, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-5 MS | 1307. | Cajka, Hajslova, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) |
| Capillary | DB-5 | 1294. | Viana, Andrade-Neto, et al., 2002 | 30. m/0.25 mm/0.1 μm, He; Program: 35C => 4C/min => 180C => 20C/min => 280C |
| Capillary | CP Sil 5 CB | 1286. | Weyerstahl, Marschall, et al., 1999 | Column length: 25. m; Column diameter: 0.39 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RTX-Wax | 1723. | Bendiabdellah, El Amine Dib, et al., 2012 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 5. min; Tstart: 60. C |
| Capillary | HP-Wax | 1717. | Fredj, Marzouk, et al., 2007 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min, 250. C @ 10. min; Tstart: 50. C |
| Capillary | DB-Wax | 1738. | Qian and Wang, 2005 | 60. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min |
| Capillary | DB-Wax | 1705. | Osorio, Duque, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
| Capillary | DB-Wax | 1717. | Osorio, Duque, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min |
| Capillary | DB-Wax | 1712. | Parada, Duque, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min |
| Capillary | DB-Wax | 1716. | Parada, Duque, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min |
| Capillary | DB-Wax | 1704. | Morales, Albarracín, et al., 1996 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 4. min, 4. K/min, 200. C @ 10. min |
| Capillary | DB-Wax | 1712. | Morales, Albarracín, et al., 1996 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min |
| Capillary | SP-1000 | 1718. | De Llano D.G., Ramos M., et al., 1990 | 25. m/0.2 mm/0.43 μm, N2, 4. K/min, 190. C @ 30. min; Tstart: 60. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PEG-20M | 1726. | Qin, 2009 | Program: not specified |
| Capillary | HP-Innowax FSC | 1722. | Kivcak, Akay, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 1722. | Erdemoglu, Sener, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 1722. | Kirimer, Tabanca, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Singliar, 1972
Singliar, M.,
Chromatographic Behaviour and the Structure of Secondary Aliphatic Alcohols,
J. Chromatogr., 1972, 65, 1, 311-321, https://doi.org/10.1016/S0021-9673(00)86946-0
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Eri, Khoo, et al., 2000
Eri, S.; Khoo, B.K.; Lech, J.; Hartman, T.G.,
Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization,
J. Agric. Food Chem., 2000, 48, 4, 1140-1149, https://doi.org/10.1021/jf9911850
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Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C.,
Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.),
J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c
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Pinto, Guedes, et al., 2006
Pinto, A.B.; Guedes, C.M.; Moreira, R.F.A.; de Maria, C.A.B.,
Volatile constituents from headspace and aqueous solution of genipap (Genipa americana) fruit isolated by the solid-phase extraction method,
Flavour Fragr. J., 2006, 21, 3, 488-491, https://doi.org/10.1002/ffj.1623
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Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
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Chung and Cadwallader, 1993
Chung, H.Y.; Cadwallader, K.R.,
Volatile components in blue crab (Callinectes sapidus) meat and processing by-product,
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Suárez, Duque, et al., 1991
Suárez, M.; Duque, C.; Wintoch, H.; Schreier, P.,
Glycosidically bound aroma compounds from the pulp and the peelings of lulo fruit (Solanum vestissimum D.),
J. Agric. Food Chem., 1991, 39, 9, 1643-1645, https://doi.org/10.1021/jf00009a022
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Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y.,
Volatile Flavor Components in Crayfish Waste,
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Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E.,
Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation,
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Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A.,
Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria,
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Lis and Milczarek, 2006
Lis, A.; Milczarek, J.,
Chemical composition of the essential oils from fruits, leaves and flowers of Phellodendron sachalinense (Fr. Schmidt) Sarg.,
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Schlumpberger B.O., Clery R.A., et al., 2006
Schlumpberger B.O.; Clery R.A.; Barthlott W.,
A unique cactus with scented and possibly bat-dispersed fruits: Rhipsalis juengeri,
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Dickschat, Bode, et al., 2005
Dickschat, J.S.; Bode, H.B.; Wenzel, S.C.; Muller, R.; Schulz, S.,
Biosinthesis and Identification of Volatiles Released by the Myxobacterium Stigmatella aurantiaca,
ChemBioChem, 2005, 6, 11, 2023-2033, https://doi.org/10.1002/cbic.200500174
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Setzer, Noletto, et al., 2005
Setzer, W.N.; Noletto, J.A.; Lawton, R.O.; Haber, W.A.,
Leaf essential oil composition of five Zanthoxylum species from Monteverde, Costa Rica,
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Lis, Boczek, et al., 2004
Lis, A.; Boczek, E.; Góra, J.,
Chemical composition of the essential oils from fruits, leaves and flowers of the Amur cork tree (Phellodendron amurense Rupr.),
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Congiu, Falconieri, et al., 2002
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Extraction and isolation of Pistacia lentiscus L. essential oil by supercritical CO2,
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Lamarque, Maestri, et al., 1998
Lamarque, A.L.; Maestri, D.M.; Zygadlo, J.A.; Grosso, N.R.,
Volatile constituents from flowers of Acacia caven (Mol.) Mol. var. caven, Acacia aroma Gill. ex Hook., Erythrina crista-galli L. and Calliandra tweedii Benth.,
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Yaacob, Abdullah, et al., 1989
Yaacob, K.B.; Abdullah, C.M.; Joulain, D.,
Essential Oil of Ruta graveolens L.,
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se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J.,
Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways,
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Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E.,
Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles,
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Viana, Andrade-Neto, et al., 2002
Viana, F.A.; Andrade-Neto, M.; Pouliquen, Y.B.M.; Lucien, V.G.,
Chemical composition of the essential oil from roots of Philodendron acutatum Schott.,
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Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Son, P.T.; Giang, P.M.; Kaul, V.K.,
Constituents of the essential oil from the fruits of Zanthoxylum rhetsoides Drake from Vietnam and from the aerial parts of Zanthoxylum alatum Roxb. from India,
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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,
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Qian and Wang, 2005
Qian, M.C.; Wang, Y.,
Seasonal Variations of Volatile Composition and Odor Activity Value of Marion (Rubus spp. hyb) and Thornless Evergreen (R.laciniatus L.) Blackberries,
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Osorio, Duque, et al., 2002
Osorio, C.; Duque, C.; Suarez, M.; Salamanca, L.E.; Uruena, F.,
Free, glycosidically bound, and phosphate bound flavor constituents of badea (Passiflora quadrangularis) fruit pulp,
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Parada, Duque, et al., 2000
Parada, F.; Duque, C.; Fujimoto, Y.,
Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors in Melón de olor fruit pulp (Sicana odorifera),
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Morales, Albarracín, et al., 1996
Morales, A.L.; Albarracín, D.; Rodríguez, J.; Duque, C.; Riaño, L.E.; Espitia, J.,
Volatile constituents from Andes berry (Rubus glaucus Benth),
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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,
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Qin, 2009
Qin, Z.,
Relationship between the molecular structure and gas chromatographic retention index of alcohol isomer,
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Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C.,
Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey,
Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677
. [all data]
Erdemoglu, Sener, et al., 2003
Erdemoglu, N.; Sener, B.; Demirci, B.; Baser, K.H.C.,
The glycosidically bound volatile compounds of Taxus baccata,
Chem. Nat. Compd. (Engl. Transl.), 2003, 39, 2, 195-198, https://doi.org/10.1023/A:1024870031960
. [all data]
Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C.,
Essential oils of annual Sideritis species growing in Turkey,
Pharm. Biol., 2000, 38, 2, 106-111, https://doi.org/10.1076/1388-0209(200004)3821-1FT106
. [all data]
Notes
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
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