2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-

• Formula: C₁₃H₂₂O₂
• Molecular weight: 210.3126
• IUPAC Standard InChI: InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9- Copy

  
• IUPAC Standard InChIKey: BYCHQEILESTMQU-XFXZXTDPSA-N Copy
• CAS Registry Number: 105-91-9
• 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.
• Stereoisomers:
  • Geranyl propionate
• Other names: 2,6-Octadien-1-ol, 3,7-dimethyl-, propionate, (Z)-; Neryl propionate; cis-3,7-Dimethyl-2,6-octadien-1-ol, propionate; Propionic acid, 3,7-dimethyl-2,6-octadien-1-yl ester; Propionic acid, neryl ester; Neryl propanoate; (2Z)-3,7-Dimethyl-2,6-octadienyl propionate
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• Information on this page:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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IR Spectrum

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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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Additional Data

Mass spectrum (electron ionization)

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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

Gas Chromatography

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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

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Kovats' RI, polar column, temperature ramp

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

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

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

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Normal alkane RI, non-polar column, temperature ramp

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

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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]

Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F., Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR, Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977 . [all data]

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]

Paolini J., Desjobert J.M., et al., 2006
Paolini J.; Desjobert J.M.; Costa J.; Bernardini A.F.; Castellini C.B.; Cioni P.L.; Flamini G.; Morelli I., Composition of essential oils of Helichrysum italicum (Roth) G. Don fil subsp. italicum from Tuscan archipelago islands, Flavour Fragr. J., 2006, 21, 5, 805-808, https://doi.org/10.1002/ffj.1726 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A., Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry, J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131 . [all data]

Bianchini, Tomi, et al., 2003
Bianchini, A.; Tomi, P.; Bernardini, A.F.; Morelli, I.; Flamini, G.; Cioni, P.L.; Usai, M.; Marchetti, M., A comparative study of volatile constituents of two Helichrysum italicum (Roth) Guss. Don Fil subspecies growing in Corsica (France), Tuscany and Sardinia (Italy), Flavour Fragr. J., 2003, 18, 6, 487-491, https://doi.org/10.1002/ffj.1231 . [all data]

Bianchini, Tomi, et al., 2001
Bianchini, A.; Tomi, P.; Costa, J.; Bernardini, A.F., Composition of Helichrysum italicum (Roth) G. Don fil. subsp. italicum essential oils from Corsica (France), Flavour Fragr. J., 2001, 16, 1, 30-34, https://doi.org/10.1002/1099-1026(200101/02)16:1<30::AID-FFJ941>3.0.CO;2-F . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Jirovetz, Eller, et al., 2006
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]

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

Orav, Raal, et al., 2006
Orav, A.; Raal, A.; Arak, E.; Müürisepp, M.; Kailas, T., Composition of the essential oil of Artemisia absinthium L. of different geographical origin, Proc. Est. Acad. Sci. Chem., 2006, 55, 3, 155-165. [all data]

Juteau, Jerkovic, et al., 2003
Juteau, F.; Jerkovic, I.; Masotti, V.; Milos, M.; Mastelic, J.; Bessière, J.-M.; Viano, J., Composition and antimicrobial activity of the essential oil of Artemisia absinthium from Croatia and France, Planta Medica, 2003, 69, 2, 158-161, https://doi.org/10.1055/s-2003-37714 . [all data]

Tabanca N., Demirci B., et al., 2007
Tabanca N.; Demirci B.; Crockett S.L.; Baser K.H.C.; Wedge D.E., Chemical composition and antifungal activity of Arnica longifolia, Aster hesperius, and Chrysothamnus nauseosus essential oils, J. Agric. Food Chem., 2007, 55, 21, 8430-8435, https://doi.org/10.1021/jf071379c . [all data]

Notes

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