6-Octen-1-ol, 3,7-dimethyl-, formate


IR Spectrum

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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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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 MASS SPECTRA OF ORGANIC COMPOUNDS, V. 5, B. H. KENNETT ET AL, DIV. OF FOOD RESEARCH, CSIRO, AUSTRALIA
NIST MS number 57658

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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, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30100.1255.6Tudor, 199740. m/0.35 mm/0.35 μm
PackedApiezon L150.1216.ter Heide, 1968N2, Embacel; Column length: 2.5 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5MS1282.Jalali-Heravi, Zekavat, et al., 200660. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 250. C @ 20. min
CapillarySPB-51277.Gauvin, Lecomte, et al., 200460. m/0.32 mm/1. μm, He, 4. K/min, 200. C @ 30. min; Tstart: 60. C
CapillaryDB-51295.Baranauskiene, Venskutonis, et al., 200350. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min, 280. C @ 10. min
CapillaryCross-Linked Methylsilicone1262.Rajeswara Rao, Kaul, et al., 200250. m/0.2 mm/0.25 μm, He, 4. K/min; Tstart: 100. C; Tend: 280. C
CapillaryBP-11261.Rajeswara Rao, 200225. m/0.5 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryBP-11261.Rao B.R.R., 200225. m/0.5 mm/0.25 μm, 5. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryBP-11261.Jain, Aggarwal, et al., 200125. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C
CapillaryBP-11261.Rao, Kaul, et al., 2000N2, 5. K/min, 220. C @ 10. min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C
CapillaryBP-11261.Rao, Sastry, et al., 200025. m/0.50 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C
CapillaryBP-11261.Kulkarni, Mallavarapu, et al., 1998N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 220. C
CapillaryMethyl Silicone1262.Mallavarapu, Rao, et al., 1998N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 220. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51275.Shellie and Marriott, 200330. m/0.25 mm/0.25 μm, He; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M150.1644.Tudor, Moldovan, et al., 1999Phase thickness: 0.45 μm
PackedCarbowax 20M150.1638.ter Heide, 1968N2, Embacel; Column length: 2.5 m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Wax1636.Gauvin, Lecomte, et al., 200450. m/0.2 mm/0.4 μm, He, 4. K/min, 230. C @ 30. min; Tstart: 60. C
CapillaryCarbowax 20M1617.Kulkarni, Mallavarapu, et al., 1998N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 200. C
CapillaryCarbowax 20M1615.Mallavarapu, Rao, et al., 1998N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryHP-5MS1275.Pino, Mesa, et al., 200530. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
CapillaryBP-11262.Raina, Kumar, et al., 200430. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C
CapillaryHP-51280.Shellie and Marriott, 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C
CapillaryCP Sil 5 CB1266.Weyerstahl, Marschall, et al., 1999He, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C
CapillaryMethyl Silicone1261.Píry, Príbela, et al., 199525. m/0.2 mm/0.3 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C
CapillaryDB-11256.2Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C
CapillaryDB-11258.9Chang, 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
CapillaryHP-5MS1285.5Andriamaharavo, 201430. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)
CapillaryHP-51271.Isidorov, Krajewska, et al., 200130. m/0.25 mm/0.25 μm, He; Program: 50C => 6C/min => 100C => 4C/min => 280C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1629.Choi, 200560. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1628.Choi and Sawamura, 200060. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryDB-Wax1616.Möllenbeck, König, et al., 199725. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C
CapillaryCarbowax 20M1588.Píry, Príbela, et al., 199550. m/0.2 mm/0.2 μm, He, 30. C @ 2. min, 4. K/min, 170. C @ 20. min
CapillaryDB-Wax1612.9Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 240. C
CapillaryDB-Wax1616.0Chang, Sheng, et al., 19892. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 240. C
CapillaryCarbowax 20M1605.Chen and Ho, 1988He, 1.5 K/min, 225. C @ 80. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 50. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51282.Boukhris, Bouaziz, et al., 201230. m/0.25 mm/0.25 μm, Helium, 100. C @ 1. min, 10. K/min, 260. C @ 10. min
CapillaryHP-5 MS1273.Phungpanya, Thongpoon, et al., 201230. m/0.25 mm/0.25 μm, Helium, 2. K/min; Tstart: 50. C; Tend: 180. C
CapillaryHP-5 MS1273.Miyazawa, Marumoto, et al., 201130. m/0.25 mm/0.25 μm, Helium, 4. K/min, 260. C @ 5. min; Tstart: 40. C
CapillaryDB-51278.Mosayebi, Amin, et al., 200860. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min, 250. C @ 10. min; Tstart: 60. C
CapillaryFSOT-RSL-2001274.Jirovetz, Eller, et al., 200630. m/0.32 mm/0.25 μm, Hydrogen, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryCP Sil 5 CB1252.Tesso, Kubeczka, et al., 20063. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 230. C
CapillaryBP-11260.Gupta, Mallavarapu, et al., 200130. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C
CapillaryDB-51249.Reverchon, Porta, et al., 199730. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2. K/min; Tend: 250. C
CapillaryDB-11263.Nishimura, 199560. m/0.32 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 210. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySE-301261.Vinogradov, 2004Program: not specified
CapillaryDB-11261.Nishimura, 199560. m/0.32 mm/0.25 μm, He; Program: not specified
CapillaryOV-1011261.Shibamoto, 1987Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M1600.Babu and Kaul, 200560. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 10. K/min, 190. C @ 15. min
CapillaryStabilwax1599.Jirovetz, Buchbauer, et al., 200530. m/0.32 mm/0.5 μm, 40. C @ 5. min, 6. K/min, 280. C @ 5. min
CapillaryPE-Wax1615.Ram, Kumar, et al., 200550. m/0.32 mm/0.25 μm, H2, 4. K/min, 220. C @ 2. min; Tstart: 60. C
CapillaryDB-Wax1625.Choi, 200460. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
CapillaryTC-Wax1605.Miyazawa, Yamafuji, et al., 20033. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 240. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1600.Vinogradov, 2004Program: not specified
CapillaryCarbowax 20M1600.Shibamoto, 1987Program: not specified

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.

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, 1968
ter Heide, R., Studies on terpenes. II. Characterization of monoterpene esters by gas and thin-layer chromatography, Z. Anal. Chem., 1968, 236, 215-227. [all data]

Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H., Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques, J. Chromatogr. A, 2006, 1114, 1, 154-163, https://doi.org/10.1016/j.chroma.2006.02.034 . [all data]

Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J., Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island, Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354 . [all data]

Baranauskiene, Venskutonis, et al., 2003
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R., Sensory and instrumental evaluation of catnip (Nepeta cataria L.) aroma, J. Agric. Food Chem., 2003, 51, 13, 3840-3848, https://doi.org/10.1021/jf021187b . [all data]

Rajeswara Rao, Kaul, et al., 2002
Rajeswara Rao, B.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S., Water soluble fractions of rose scented geranium (Pelargonium species) essential oil, Bioresour. Technol., 2002, 84, 3, 243-246, https://doi.org/10.1016/S0960-8524(02)00057-3 . [all data]

Rajeswara Rao, 2002
Rajeswara Rao, B.R., Biomass yield, essential oil yield and essential oil composition of rose-scented geranium (Pelargonium species) as influenced by row spacings and intercropping with cornmint (Mentha arvensis L.f. piperascens Malinv. ex Holmes), Ind. Crops Prod., 2002, 16, 2, 133-144, https://doi.org/10.1016/S0926-6690(02)00038-9 . [all data]

Rao B.R.R., 2002
Rao B.R.R., Biomass yield, essential oil yield and essential oil composition of rose-scented geranium (Pelargonium species) as influenced by row spacings and intercropping with cornmint (Mentha arvensis L.f. piperascens Malinv. ex Holmes), Industrial Crops and Products, 2002, 16, 2, 133-144, https://doi.org/10.1016/S0926-6690(02)00038-9 . [all data]

Jain, Aggarwal, et al., 2001
Jain, N.; Aggarwal, K.K.; Syamasundar, K.V.; Srivastava, S.K.; Kumar, S., Essential oil composition of geranium (Pelargonium sp.) from the plains of Northern India, Flavour Fragr. J., 2001, 16, 1, 44-46, https://doi.org/10.1002/1099-1026(200101/02)16:1<44::AID-FFJ943>3.0.CO;2-X . [all data]

Rao, Kaul, et al., 2000
Rao, B.R.R.; Kaul, P.N.; Mallavarapu, G.R.; Ramesh, S., First observation of little leaf disease and its impact on the yield and composition of the essential oil of rose-scented geranium (Pelargonium sp.), Flavour Fragr. J., 2000, 15, 3, 137-140, https://doi.org/10.1002/1099-1026(200005/06)15:3<137::AID-FFJ880>3.0.CO;2-A . [all data]

Rao, Sastry, et al., 2000
Rao, B.R.R.; Sastry, K.P.; Saleem, S.M.; Rao, E.V.S.P.; Syamasundar, K.V.; Ramesh, S., Volatile flower oils of three genotypes of rose-scented geranium (Pelargonium sp.), Flavour Fragr. J., 2000, 15, 2, 105-107, https://doi.org/10.1002/(SICI)1099-1026(200003/04)15:2<105::AID-FFJ875>3.0.CO;2-G . [all data]

Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S., Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.), Flavour Fragr. J., 1998, 13, 6, 389-392, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<389::AID-FFJ757>3.0.CO;2-2 . [all data]

Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K., Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.), Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B . [all data]

Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J., Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry, Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a . [all data]

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Raina, V.K.; Kumar, A.; Srivastava, S.K.; Syamsundar, K.V.; Kahol, A.P., Essential oil composition of 'kewda' (Pandanus odoratissimus) from India, Flavour Fragr. J., 2004, 19, 5, 434-436, https://doi.org/10.1002/ffj.1331 . [all data]

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Jirovetz, L.; Eller, G.; Buchbauer, G.; Schmidt, E.; Denkova, Z.; Stoyanova, A.S.; Nikolova R.; Geissler, M., Chemical composition, antimicrobial activities and odor descriptions of some essential oils with characteristic floral-rosy scent and of their principal aroma compounds, Recent. Res. Devel. Agronomy Horticulture, 2006, 2, 1-12. [all data]

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Nishimura, O., Application of a thermal desorption cold trap injector to multidimensional GC and GC-MS, J. Hi. Res. Chromatogr., 1995, 18, 11, 699-704, https://doi.org/10.1002/jhrc.1240181105 . [all data]

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Babu and Kaul, 2005
Babu, K.G.D.; Kaul, V.K., Variation in essential oil composition of rose-scented geranium (Pelargonium sp.) distilled by different distillation techniques, Flavour Fragr. J., 2005, 20, 2, 222-231, https://doi.org/10.1002/ffj.1414 . [all data]

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Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Balinova, A.; Guangjiun, Z.; Xihan, M., Solid phase microextraction/gas chromatographic and olfactory analysis of the scent and fixative properties of the essential oil of Rosa damascena L. from China, Flavour Fragr. J., 2005, 20, 1, 7-12, https://doi.org/10.1002/ffj.1375 . [all data]

Ram, Kumar, et al., 2005
Ram, P.; Kumar, B.; Naqvi, A.A.; Verma, R.S.; Patra, N.K., Post-harvest storage effect on quantity and quality of rose-scented geranium (Pelargonium sp. cv. 'Bourbon') oil in Uttaranchal, Flavour Fragr. J., 2005, 20, 6, 666-668, https://doi.org/10.1002/ffj.1544 . [all data]

Choi, 2004
Choi, H.-S., Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME, J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p . [all data]

Miyazawa, Yamafuji, et al., 2003
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Notes

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