Ethyl geranate

• Formula: C₁₂H₂₀O₂
• Molecular weight: 196.2860
• IUPAC Standard InChI: InChI=1S/C12H20O2/c1-5-14-12(13)9-11(4)8-6-7-10(2)3/h7,9H,5-6,8H2,1-4H3/b11-9+ Copy

  
• IUPAC Standard InChIKey: ZPKNTCZTABQJPS-PKNBQFBNSA-N Copy
• CAS Registry Number: 32659-21-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • Ethyl nerate
• Other names: 2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester, (E)-; (E)-3,7-Dimethyl-2,6-octadienoic acid, ethyl ester; Ethyl (2E)-3,7-dimethyl-2,6-octadienoate; E-Ethyl geranate; Ethyl (E)-3,7-dimethylocta-2,6-dienoate; Ethyl trans-geraniate
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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, non-polar column, isothermal

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Kovats' RI, non-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, 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.

Kováts, 1987
Kováts, E., Composition of essential oils. Part 7. Bulgarian oil of rose (Rosa damascena Mill.), J. Chromatogr., 1987, 406, 185-222. [all data]

Tayoub, Schwob, et al., 2006
Tayoub, G.; Schwob, I.; Bessière, J.-M.; Rabier, J.; Masotti, V.; J.; M.; Girard, G.; Viano, J., Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France, Flavour Fragr. J., 2006, 21, 5, 809-812, https://doi.org/10.1002/ffj.1731 . [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]

Chisholm, Wilson, et al., 2001
Chisholm, M.G.; Wilson, M.A.; Gaskey, G.M.; Jell, J.A.; Cass, D.M., Jr., Chapter 9. The identification of aroma compounds in key lime oil using solid-phase microextraction and gas chromatography-olfactometry, Am. Chem. Soc. Symp. Ser., 2001, 782, 100-112. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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