2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester, (Z)-

• Formula: C₁₁H₁₈O₂
• Molecular weight: 182.2594
• IUPAC Standard InChI: InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8- Copy

  
• IUPAC Standard InChIKey: ACOBBFVLNKYODD-NTMALXAHSA-N Copy
• CAS Registry Number: 1862-61-9
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • trans-Geranic acid methyl ester
  • 2,6-Octadienoic acid, 3,7-dimethyl-, methyl ester
• Other names: cis-Geranic acid methyl ester; cis-2,6-Octadienoic Acid, 3,7-dimethyl-, methyl ester; Methyl nerolate; Z-Methyl geranate; (Z)-Geranic acid, methyl ester; methyl (Z)-3,7-dimethylocta-2,6-dienoate
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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, temperature ramp

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Kovats' RI, polar column, isothermal

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Van Den Dool and Kratz RI, non-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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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.

Adams, 1999
Adams, R.P., Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting, Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2 . [all data]

ter Heide, de Valois, et al., 1975
ter Heide, R.; de Valois, P.J.; Wobben, H.J.; Timmer, R., Analysis of the acid fraction of the reunion geranium oil (Pelargonium graveolens L'Her. ex Ait), J. Agric. Food Chem., 1975, 23, 1, 57-60, https://doi.org/10.1021/jf60197a010 . [all data]

Su, Ho, et al., 2006
Su, Y.C.; Ho, C.L.; Wang, E.I.C., Analysis of leaf essential oils from the indigenous five conifers of Taiwan, Flavour Fragr. J., 2006, 21, 3, 447-452, https://doi.org/10.1002/ffj.1685 . [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]

Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A., Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy, Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009 . [all data]

Lis and Milczarek, 2006
Lis, A.; Milczarek, J., Chemical composition of the essential oils from fruits, leaves and flowers of Phellodendron sachalinense (Fr. Schmidt) Sarg., Flavour Fragr. J., 2006, 21, 4, 683-686, https://doi.org/10.1002/ffj.1662 . [all data]

Notes

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