1-Hexadecanol

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Normal alkane 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 CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5 MSHP-5 MSHP-5HP-5HP-5 MS
Column length (m) 30.30.30.30.30.
Carrier gas HeliumHeliumHeliumHeliumHelium
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 70.70.60.50.70.
Tend (C) 200.200.240.240.290.
Heat rate (K/min) 3.3.3.3.5.
Initial hold (min) 2.2.2.5. 
Final hold (min) 18.18.  10.
I 1882.1882.1880.1882.1883.
ReferenceJerkovic, Hegic, et al., 2010Jerkovic and Marijanovic, 2010Kahriman, Tosun, et al., 2010Monsef-Esfahani, Miri, et al., 2010Radulovic, Blagojevic, et al., 2010
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-1HP-5HP-1HP-5HP-5 MS
Column length (m) 30.30.25.30.30.
Carrier gas HeliumHelium NitrogenHelium
Substrate      
Column diameter (mm) 0.250.320.320.250.25
Phase thickness (μm) 0.250.250.170.250.25
Tstart (C) 50.50.50.50.50.
Tend (C) 220.280.260.280.230.
Heat rate (K/min) 4.5.1.5.4.
Initial hold (min) 2.2.5.1.4.
Final hold (min) 2.5.5.1.10.
I 1864.1879.1865.1870.1879.
ReferenceXu, Tang, et al., 2010Lago, Favero, et al., 2009Wetwiayaklung, Thavanapong, et al., 2009Bousaada, Ammar, et al., 2008Forero, Quijano, et al., 2008
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5DB-5HP-5MSDB-5Elite-5MS
Column length (m) 30.50.30.30.30.
Carrier gas NitrogenNitrogenHeHeHe
Substrate      
Column diameter (mm) 0.250.200.250.250.32
Phase thickness (μm) 0.250.320.250.250.5
Tstart (C) 50.60.60.60.40.
Tend (C) 280.220.250.320.280.
Heat rate (K/min) 5.5.2.10.4.
Initial hold (min) 1.3.8. 5.
Final hold (min) 1.5.15.4.10.
I 1886.1882.1874.1873.1880.
ReferenceSaidana, Mahjoub, et al., 2008Amiri, 2007Ferhat, Tigrine-Kordjani, et al., 2007Smelcerovic, Spiteller, et al., 2007Tava, Pecetti, et al., 2007
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-101DB-1HP-5MSHP-5 MSHP-1
Column length (m) 25.50.30.30.50.
Carrier gas HeN2HeHeliumHe
Substrate      
Column diameter (mm) 0.20.250.250.250.2
Phase thickness (μm) 0.20.250.250.250.5
Tstart (C) 70.95.60.60.60.
Tend (C) 200.240.280.250.250.
Heat rate (K/min) 3.4.3.2.2.
Initial hold (min) 2. 5.8. 
Final hold (min) 15.  15.40.
I 1858.1866.1875.1874.1864.
ReferenceMastelic, Jerkovic, et al., 2006Pala-Paul J., Perez-Alonso M.J., et al., 2006Setzer, Noletto, et al., 2006Tigrine-Kordiani, Meklati, et al., 2006Valette, Fernandez, et al., 2006
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5BPX5DB-1DB-1HP-5
Column length (m) 30.25.60.30.60.
Carrier gas HeHeliumN2HeHe
Substrate      
Column diameter (mm) 0.250.220.250.250.32
Phase thickness (μm) 0.250.250.250.250.25
Tstart (C) 60.50.60.50.30.
Tend (C) 210.320.250.265.260.
Heat rate (K/min) 3.5.5.2.52.
Initial hold (min) 5.5. 1.2.
Final hold (min)   10.20.28.
I 1875.1892.1841.1860.1883.5
ReferenceAskari and Sefidkon, 2005Dickschat, Bode, et al., 2005Fakhari A.R., Sonboli A., et al., 2005Khanavi, Ghasemian, et al., 2005Leffingwell and Alford, 2005
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase DB-5HP-5SPB-5DB-1HP-5
Column length (m) 30.30.30.30.30.
Carrier gas HeHeHeN2He
Substrate      
Column diameter (mm) 0.250.250.320.250.25
Phase thickness (μm) 0.25 0.250.25 
Tstart (C) 60.60.40.80.100.
Tend (C) 220.240.220.250.240.
Heat rate (K/min) 4.5.5.4.8.
Initial hold (min) 4. 1. 2.
Final hold (min)   20. 15.
I 1878.1879.1886.1875.1881.
ReferenceMorteza-Semnani and Saeedi, 2005Saeidnia, Gohari, et al., 2005Ledauphin, Guichard, et al., 2003Mahalwal and Ali, 2003Naka, van Vang, et al., 2003
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5RSL-200RSL-200DB-5
Column length (m) 25.25.30.30.30.
Carrier gas H2H2H2H2He
Substrate      
Column diameter (mm) 0.320.320.320.250.25
Phase thickness (μm) 0.530.530.250.250.25
Tstart (C) 40.40.40.40.60.
Tend (C) 280.280.280.280.220.
Heat rate (K/min) 4.4.6.6.4.
Initial hold (min)   5.2.5.
Final hold (min)   5.10. 
I 1876.1879.1870.1870.1876.
ReferenceVelickovic, Randjelovic, et al., 2003Velickovic, Randjelovic, et al., 2003Jirovetz, Buchbauer, et al., 2002Jirovetz, Smith, et al., 2002Morteza-Semnani, Saeedi, et al., 2002
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillaryCapillary
Active phase HP-5HP-5SPB-5OV-101DB-5
Column length (m) 30.30.60.50.30.
Carrier gas H2H2HeNitrogenHe
Substrate      
Column diameter (mm) 0.250.250.250.250.25
Phase thickness (μm) 0.250.250.25 0.25
Tstart (C) 40.40.70.40.50.
Tend (C) 280.280.240.200.250.
Heat rate (K/min) 4.3.5.2.2.
Initial hold (min)  10.8.10.5.
Final hold (min)  10.20.  
I 1879.1880.1839.1863.1841.
ReferenceVelickovic, Randjelovic, et al., 2002Bicalho, Pereira, et al., 2000Kim, Kim, et al., 2000Tamura, Boonbumrung, et al., 2000Reverchon, Porta, et al., 1997
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI MSDC-RI
Column type CapillaryCapillaryCapillaryCapillary
Active phase Ultra-1DB-1DB-1SE-54
Column length (m) 25.60.60.25.
Carrier gas HeHeHeN2
Substrate     
Column diameter (mm) 0.320.250.250.25
Phase thickness (μm) 0.250.250.25 
Tstart (C) 80.50.50.60.
Tend (C) 260.240.240.260.
Heat rate (K/min) 3.3.3.6.
Initial hold (min)    2.
Final hold (min)     
I 1863.1869.1872.1890.
ReferenceOkumura, 1991Shiota, 1991Shiota, 1991Bestmann, Classen, et al., 1988
Comment MSDC-RI MSDC-RI MSDC-RI MSDC-RI

References

Go To: Top, Normal alkane 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.

Jerkovic, Hegic, et al., 2010
Jerkovic, I.; Hegic, G.; Marijanovic, Z.; Bubalo, D., Organic extractives from Mentha spp. honey and the bee-stomach: methyl syringate, vomifoliol, terpenediol I, hotrienol, and other compounds, Molecules, 2010, 15, 4, 2911-2924, https://doi.org/10.3390/molecules15042911 . [all data]

Jerkovic and Marijanovic, 2010
Jerkovic, I.; Marijanovic, Z., Oak (Quercus frainetto Ten.) honeydaw honey - approach to screening of volatile organic composition and antioxidant capacity (DPPH and FRAP assay), Molecules, 2010, 15, 5, 3744-3756, https://doi.org/10.3390/molecules15053744 . [all data]

Kahriman, Tosun, et al., 2010
Kahriman, N.; Tosun, G.; Genc, H.; Yayli, N., Comparative essential oil analysis of Geranium sylvaticum estracted by hydrodistillation and microwave distillation, Turk. J. Chem., 2010, 34, 969-976. [all data]

Monsef-Esfahani, Miri, et al., 2010
Monsef-Esfahani, H.R.; Miri, A.; Amini, M.; Amanzadeh, Y.; Hadjiakhoondi, A.; Hajiaghaee, R.; Ajani, Y., Seasonal variations in the chemical composition, antioxidant activity and total phenolic content of Teucrium persicum Boiss. essential oils, Res. J. Biol. Sci., 2010, 5, 7, 492-498, https://doi.org/10.3923/rjbsci.2010.492.498 . [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y., Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods, Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h . [all data]

Lago, Favero, et al., 2009
Lago, J.H.G.; Favero, O.A.; Romoff, P., Chemical composition and seasonal variations of the volatile oils from leaves of Michelia champaca L., Magnoliaceae, Braz. J. Pharmacognosia, 2009, 19, 4, 880-882. [all data]

Wetwiayaklung, Thavanapong, et al., 2009
Wetwiayaklung, P.; Thavanapong, N.; Charoenteeraboon, J., Chemical constituents and antimicrobial activity os essential oil and extracts of heartwood of Aquilaria crassna obtained from water distillation and supercritical fluid carbon dioxide extraction, Silpakorn U Sci. J., 2009, 3, 1, 25-33. [all data]

Bousaada, Ammar, et al., 2008
Bousaada, O.; Ammar, S.; Saidana, D.; Chriaa, J.; Chraif, I.; Daami, M.; Helal, A.N.; Mighri, Z., Chemical composition and antimicrobial activity of volatile components from capitula and aerial parts of Rhaponticum acaule DC growing wild in Tunisia, Microbiol. Res., 2008, 163, 1, 87-95, https://doi.org/10.1016/j.micres.2007.02.010 . [all data]

Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A., Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages, Flavour Fragr. J., 2008, 24, 1, 25-30, https://doi.org/10.1002/ffj.1913 . [all data]

Saidana, Mahjoub, et al., 2008
Saidana, D.; Mahjoub, M.A.; Boussaada, O.; Chriaa, J.; Cheraif, I.; Daami, M.; Mighri, Z.; Helal, A.N., Chemical composition and antimicrobial activity of volatile compounds of Tamarix boveana (Tamaricaceae), Microbiol. Res., 2008, 163, 4, 445-455, https://doi.org/10.1016/j.micres.2006.07.009 . [all data]

Amiri, 2007
Amiri, H., Quantative and qualative changes of essential oil of Salvia bracteata BAnk et Sol. in different growth stages, DARU, 2007, 15, 2, 79-82. [all data]

Ferhat, Tigrine-Kordjani, et al., 2007
Ferhat, M.A.; Tigrine-Kordjani, N.; Chemat, S.; Meklati, B.Y.; Chemat, F., Rapid Extraction of Volatile Compounds Using a New Simultaneous Microwave Distillation: Solvent Extraction Device, Chromatographia, 2007, 65, 3-4, 217-222, https://doi.org/10.1365/s10337-006-0130-5 . [all data]

Smelcerovic, Spiteller, et al., 2007
Smelcerovic, A.; Spiteller, M.; Ligon, A.P.; Smelcerovic, Z.; Raabe, N., Essential oil composition of Hypericum L. species from Southeastern Serbia and their chemotaxonomy, Biochem. Syst. Ecol., 2007, 35, 2, 99-113, https://doi.org/10.1016/j.bse.2006.09.012 . [all data]

Tava, Pecetti, et al., 2007
Tava, A.; Pecetti, L.; Ricci, M.; Pagnotta, M.A.; Russi, L., Volatile compounds from leaves and flowers of Bituminaria bituminosa (L.) Stirt. (Fabaceae) from Italy, Flavour Fragr. J., 2007, 22, 5, 363-370, https://doi.org/10.1002/ffj.1806 . [all data]

Mastelic, Jerkovic, et al., 2006
Mastelic, J.; Jerkovic, I.; Mesic, M., Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L., Flavour Fragr. J., 2006, 21, 2, 306-313, https://doi.org/10.1002/ffj.1596 . [all data]

Pala-Paul J., Perez-Alonso M.J., et al., 2006
Pala-Paul J.; Perez-Alonso M.J.; Velasco-Negueruela A.; Ballesteros M.T.; Sanz J., Essential oil composition of Sideritis hirsuta L. from Guadalajara Province, Spain, Flavour Fragr. J., 2006, 21, 3, 410-415, https://doi.org/10.1002/ffj.1727 . [all data]

Setzer, Noletto, et al., 2006
Setzer, W.N.; Noletto, J.A.; Lawton, R.O., Chemical composition of the floral essential oil of Randia matudae from Monteverde, Costa Rica, Flavour Fragr. J., 2006, 21, 2, 244-246, https://doi.org/10.1002/ffj.1567 . [all data]

Tigrine-Kordiani, Meklati, et al., 2006
Tigrine-Kordiani, N.; Meklati, B.Y.; Chemat, F., Abalysis by gas chromatography - mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria, Int. J. Aromatherapy, 2006, 16, 3-4, 187-191, https://doi.org/10.1016/j.ijat.2006.09.008 . [all data]

Valette, Fernandez, et al., 2006
Valette, L.; Fernandez, X.; Poulain, S.; Lizzani-Cuvelier, L.; Loiseau, A.-M., Chemical composition of the volatile extracts from Brassica oleracea L. var. botrytis 'Romanesco' cauliflower seeds, Flavour Fragr. J., 2006, 21, 1, 107-110, https://doi.org/10.1002/ffj.1530 . [all data]

Askari and Sefidkon, 2005
Askari, F.; Sefidkon, F., Volatile components of Pimpinella tragium Vill. from Iran, Iran. J. Pharm. Res., 2005, 2, 117-120. [all data]

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 . [all data]

Fakhari A.R., Sonboli A., et al., 2005
Fakhari A.R.; Sonboli A.; Heydari R., Composition of the essential oil of Rhabdosciadium strausii from Iran, Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 4, 413-414, https://doi.org/10.1007/s10600-005-0164-1 . [all data]

Khanavi, Ghasemian, et al., 2005
Khanavi, M.; Ghasemian, L.; Motlagh, E.H.; Hadjiakhoondi, A.; Shafiee, A., Chemical composition of the essential oils of Marrubium parviflorum Fisch. C.A. Mey. and Marrubium vulgare L. from Iran, Flavour Fragr. J., 2005, 20, 3, 324-326, https://doi.org/10.1002/ffj.1425 . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M., The essential oil composition of Phlomis bruguieri Desf. from Iran, Flavour Fragr. J., 2005, 20, 3, 344-346, https://doi.org/10.1002/ffj.1459 . [all data]

Saeidnia, Gohari, et al., 2005
Saeidnia, S.; Gohari, A.R.; Yassa, N.; Shafiee, A., Composition of the volatile oil of Achillea conferta DC. from Iran, DARU, 2005, 13, 1, 34-36. [all data]

Ledauphin, Guichard, et al., 2003
Ledauphin, J.; Guichard, H.; Saint-Clair, J.-F.; Picoche, B.; Barillier, D., Chemical and sensorial aroma characterization of freshly distilled calvados. 2. Identification of volatile compounds and key odorants, J. Agric. Food Chem., 2003, 51, 2, 433-442, https://doi.org/10.1021/jf020373e . [all data]

Mahalwal and Ali, 2003
Mahalwal, V.S.; Ali, M., Volatile constituents of Cymbopogon nardus (Linn.) rendle, Flavour Fragr. J., 2003, 18, 1, 73-76, https://doi.org/10.1002/ffj.1144 . [all data]

Naka, van Vang, et al., 2003
Naka, H.; van Vang, L.; Inomata, S.-I.; Ando, T.; Kimura, T.; Honda, H.; Tsuchida, K.; Sakurai, H., Sex pheromone of the persimmon fruit moth, Stathmopoda masinissa: identification and laboratory bioassay of (4E, 6Z)-4,6-hexadecadien-1-ol derivatives, J. Chem. Ecol., 2003, 29, 11, 2447-2459, https://doi.org/10.1023/A:1026301800140 . [all data]

Velickovic, Randjelovic, et al., 2003
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Velickovic, A.S.; Smelcerovic, A.A., Chemical constituents and antimicrobial activity of the ethanol extracts obtained from the flower, leaf, and stem of Salvia officinalis L., J. Serb. Chem. Soc., 2003, 68, 1, 17-24, https://doi.org/10.2298/JSC0301017V . [all data]

Jirovetz, Buchbauer, et al., 2002
Jirovetz, L.; Buchbauer, G.; Ngassoum, M.B.; Geissler, M., Aroma compound analysis of Piper nigrum and Piper guineense essential oils from Cameroon using solid-phase microextraction-gas chromatography, solid-phase microextraction-gas chromatography-mass spectrometry and olfactometry, J. Chromatogr. A, 2002, 976, 1-2, 265-275, https://doi.org/10.1016/S0021-9673(02)00376-X . [all data]

Jirovetz, Smith, et al., 2002
Jirovetz, L.; Smith, D.; Buchbauer, G., Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry, J. Agric. Food Chem., 2002, 50, 16, 4643-4646, https://doi.org/10.1021/jf020129n . [all data]

Morteza-Semnani, Saeedi, et al., 2002
Morteza-Semnani, K.; Saeedi, M.; Vahedi, M., Volatile constituents of Iranian Hypericum perfloratum L., Oriental J. Chem., 2002, 18, 3, 443-444. [all data]

Velickovic, Randjelovic, et al., 2002
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Smelcerovic, A.A.; Velickovic, A.S., Chemical composition and antimicrobial action of the ethanol extracts of Salvia pratensis L., Salvia glutinosa L. and Salvia aethiopis L., J. Serb. Chem. Soc., 2002, 67, 10, 639-646, https://doi.org/10.2298/JSC0210639V . [all data]

Bicalho, Pereira, et al., 2000
Bicalho, B.; Pereira, A.S.; Aquino Neto, F.R.; Pinto, A.C.; Rezende, C.M., Application of high-temperature gas chromatography-mass spectrometry to the investigation of glycosidically bound components related to cashew applie (Anacardium occidentale L. Var. nanum) volatiles, J. Agric. Food Chem., 2000, 48, 4, 1167-1174, https://doi.org/10.1021/jf9909252 . [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]

Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W., Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand, Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68 . [all data]

Reverchon, Porta, et al., 1997
Reverchon, E.; Porta, G.D.; Gorgoglione, D., Supercritical CO2 extraction of volatile oil from rose concrete, Flavour Fragr. J., 1997, 12, 1, 37-41, https://doi.org/10.1002/(SICI)1099-1026(199701)12:1<37::AID-FFJ605>3.0.CO;2-V . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]

Shiota, 1991
Shiota, H., Volatile components of pawpaw fruit (Asimina triloba Dunal.), J. Agric. Food Chem., 1991, 39, 9, 1631-1635, https://doi.org/10.1021/jf00009a019 . [all data]

Bestmann, Classen, et al., 1988
Bestmann, H.-J.; Classen, B.; Kobold, U.; Vostrowsky, O.; Klingauf, F.; Stein, U., Steam volatile constituents from leaves of Rhus typhina, Phytochemistry, 1988, 27, 1, 85-90, https://doi.org/10.1016/0031-9422(88)80595-8 . [all data]


Notes

Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References