Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

7-Octen-2-ol, 2,6-dimethyl-


Phase change data

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: Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

Tboil (K) Pressure (atm) Reference
357.20.013Aldrich Chemical Company Inc., 1990

Mass spectrum (electron ionization)

Go To: Top, Phase change data, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

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 Chemical Concepts
NIST MS number 152073

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Phase change data, 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, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30100.1053.3Tudor, 199740. m/0.35 mm/0.35 «mu»m
PackedApiezon L150.1036.ter Heide, 1976 

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone1067.2Rao, Rajanikanth, et al., 19894. K/min, 250. C @ 15. min; Column length: 12. m; Column diameter: 0.5 mm; Tstart: 70. C

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M150.1473.ter Heide, 1976 

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryEquity-51076.Rocha, Coelho, et al., 200760. m/0.25 mm/1. «mu»m, He, 40. C @ 1. min, 5. K/min, 260. C @ 15. min
CapillaryHP-5MS1058.Shang, Hu, et al., 200230. m/0.25 mm/0.25 «mu»m, He, 50. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryMethyl Silicone1063.Píry, Príbela, et al., 199525. m/0.2 mm/0.3 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-11083.Combariza, Tirado, et al., 199460. m/0.25 mm/0.25 «mu»m, He, 70. C @ 5. min, 2.5 K/min, 250. C @ 15. min
CapillaryDB-11055.7Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C
CapillaryDB-11058.9Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySE-521072.Mondello, Dugo, et al., 199560. m/0.32 mm/0.40 «mu»m, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1455.Mondello, Dugo, et al., 199560. m/0.32 mm/0.425 «mu»m, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min
CapillaryCarbowax 20M1443.Píry, Príbela, et al., 199550. m/0.2 mm/0.2 «mu»m, He, 30. C @ 2. min, 4. K/min, 170. C @ 20. min
CapillaryDB-Wax1439.Combariza, Tirado, et al., 199460. m/0.25 mm/0.25 «mu»m, He, 50. C @ 10. min, 2. K/min, 150. C @ 20. min
CapillaryDB-Wax1470.6Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 240. C
CapillaryDB-Wax1474.7Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 240. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOptima-5 MS1072.Goeminne, Vandendriessche, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 3. min, 10. K/min, 250. C @ 5. min
CapillarySPB-51073.Vasta, Ratel, et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillarySPB-51076.Vasta, Ratel, et al., 200760. m/0.32 mm/1. «mu»m, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
CapillaryBPX-51075.Diaz and Kite, 20025. K/min; Tstart: 40. C; Tend: 260. C
CapillaryHP-5 MS1058.Shang, Hu, et al., 200130. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 2. min, 5. K/min, 250. C @ 5. min
CapillaryRSL-2001064.Jirovetz, Puschmann, et al., 200060. m/0.32 mm/0.25 «mu»m, H2, 6. K/min; Tstart: 40. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySiloxane, 5 % Ph1064.VOC BinBase, 2012Program: not specified
CapillaryPolydimethyl siloxane, 5 % phenyl1064.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillarySPB-51063.Chemat, Lucchesi, et al., 200660. m/0.32 mm/1. «mu»m, He; Program: 60C => 1C/min => 130C => 2C/min => 200C => 4C/min => 250C (40min)
CapillarySPB-51063.Iriti, Colnaghi, et al., 200660. m/0.32 mm/1. «mu»m, He; Program: 60C => 1C/min => 130C => 2C/min => 200C => 4C/min => 250C(40min)
CapillarySE-301062.Vinogradov, 2004Program: not specified
CapillaryHP-5 MS1056.Shang, Hu, et al., 200130. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryPolydimethyl siloxanes1062.Zenkevich, 1997Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1062.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedOV-1011056.Swigar and Silverstein, 1981N2, Chromosorb G 60-80mesh DMCS; Column length: 2.5 m; Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1450.Vinogradov, 2004Program: not specified

References

Go To: Top, Phase change data, 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.

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Tudor, 1997
Tudor, E., Temperature dependence of the retention index for perfumery compounds on a SE-30 glass capillary column. I. Linear equations, J. Chromatogr. A, 1997, 779, 1-2, 287-297, https://doi.org/10.1016/S0021-9673(97)00453-6 . [all data]

ter Heide, 1976
ter Heide, R., Studies on Terpenes. III. Gas Chromatography of Acyclic Monoterpene Alcohols, J. Chromatogr., 1976, 129, 143-154, https://doi.org/10.1016/S0021-9673(00)87776-6 . [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]

Rocha, Coelho, et al., 2007
Rocha, S.M.; Coelho, E.; Zrostlikova, J.; Delgadillo, I.; Coimbra b, M.A., Comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry of monoterpenoids as a powerful tool for grape origin traceability, J. Chromatogr. A, 2007, 1161, 1-2, 292-299, https://doi.org/10.1016/j.chroma.2007.05.093 . [all data]

Shang, Hu, et al., 2002
Shang, C.; Hu, Y.; Deng, C.; Hu, K., Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography-mass spectrometry with solid-phase microextraction, J. Chromatogr. A, 2002, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6 . [all data]

Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P., Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods, Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7 . [all data]

Combariza, Tirado, et al., 1994
Combariza, M.Y.; Tirado, C.B.; Stashenko, E.; Shibamoto, T., Limonene concentration in lemon (Citrus volkameriana) peel oil as a function of ripeness, J. Hi. Res. Chromatogr., 1994, 17, 9, 643-646, https://doi.org/10.1002/jhrc.1240170905 . [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]

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]

Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J., Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis, Respiratory Res., 2012, 13, 87, 1-9. [all data]

Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E., Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals, J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n . [all data]

Diaz and Kite, 2002
Diaz, A.; Kite, G.C., A comparison of the pollination ecology of Arum maculatum and A. italicum in England, Watsonia, 2002, 24, 171-181. [all data]

Shang, Hu, et al., 2001
Shang, C.; Hu, Y.; Deng, C.; Hu, K., Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography - mass spectrometry with solid-phase microextraction, J. Chromatogr. A, 2001, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6 . [all data]

Jirovetz, Puschmann, et al., 2000
Jirovetz, L.; Puschmann, C.; Stojanova, A.; Metodiev, S.; Buchbauer, G., Analysis of the essential oil volatiles of Douglas fir (Pseudotsuga menziesii) from Bulgaria, Flavour Fragr. J., 2000, 15, 6, 434-437, https://doi.org/10.1002/1099-1026(200011/12)15:6<434::AID-FFJ935>3.0.CO;2-0 . [all data]

VOC BinBase, 2012
VOC BinBase, The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]

Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O., VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]

Chemat, Lucchesi, et al., 2006
Chemat, F.; Lucchesi, M.E.; Smadja, J.; Favretto, L.; Colnaghi, G.; Visinoni, F., Microwave accelerated steam distillation of essential oil from lavender: A rapid, clean and environmentally friendly approach, Anal. Chim. Acta., 2006, 555, 1, 157-160, https://doi.org/10.1016/j.aca.2005.08.071 . [all data]

Iriti, Colnaghi, et al., 2006
Iriti, M.; Colnaghi, G.; Chemat, F.; Smadja, J.; Faoro, F.; Visinoni, F.A., Histo-cytochemistry and scanning electron microscopy of lavender glandular trichomes following conventional and microwave-assisted hydrodistillation of essential oils: a comparative study, Flavour Fragr. J., 2006, 21, 4, 704-712, https://doi.org/10.1002/ffj.1692 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Zenkevich, 1997
Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons, Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M., Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]


Notes

Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References