Methyl jasmonate

• Formula: C₁₃H₂₀O₃
• Molecular weight: 224.2961
• IUPAC Standard InChI: InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+/t10-,11-/m0/s1 Copy

  
• IUPAC Standard InChIKey: GEWDNTWNSAZUDX-NNOMMRTBSA-N Copy
• CAS Registry Number: 1211-29-6
• 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:
  • methyl epijasmonate
  • Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, [1α,2α(Z)]-
  • (+)-Jasmonic acid, methyl ester (cis)
  • (-)-Jasmonic acid, methyl ester (trans)
  • (+)-(Z)-Methyl epijasmonate
  • Methyl (Z)-epi-jasmonate
  • cis-Methyl jasmonate
  • (E)-methyl jasmonate
  • Methyl epi-jasmonate
  • (Z)-Methyl epi-jasmonate
• Other names: Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, [1R-[1α,2β(Z)]]-; Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-penten-1-yl-, methyl ester, (1R,2R)-; Cyclopentaneacetic acid, 3-oxo-trans-2-(cis-2-pentenyl), methyl ester; Z-Methyl jasmonoate; Methyl cis-jasmonate; Methyl 2-((1R,2R)-3-oxo-2-((Z)-pent-2-en-1-yl)cyclopentyl)acetate; Methyl (3-oxo-2-[(2Z)-2-pentenyl]cyclopentyl)acetate; 17627-54-2; 54595-01-6; methyl [1R-[1α,2β(Z)]]-3-oxo-2-(pent-2-enyl)cyclopentaneacetate
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• Information on this page:
  • Normal alkane RI, polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Normal alkane RI, polar column, temperature ramp

Go To: Top, 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

References

Go To: Top, Normal alkane RI, polar column, temperature ramp, Notes

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

Ka, Choi, et al., 2005
Ka, M.-H.; Choi, E.H.; Chun, H.-S.; Lee, K.-G., Antioxidative Activity of Volatile Extracts Isolated from Angelica tenuissimae Roots, Peppermint Leaves, Pine Needles, and Sweet Flag Leaves, J. Agric. Food Chem., 2005, 53, 10, 4124-4129, https://doi.org/10.1021/jf047932x . [all data]

Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G., Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties, Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056 . [all data]

Ito, Sugimoto, et al., 2002
Ito, Y.; Sugimoto, A.; Kakuda, T.; Kubota, K., Identification of potent odorants in Chinese jasmine green tea scented with flowers of Jasminum sambac, J. Agric. Food Chem., 2002, 50, 17, 4878-4884, https://doi.org/10.1021/jf020282h . [all data]

Notes

Go To: Top, Normal alkane RI, polar column, temperature ramp, References

• Symbols used in this document:
  

  Tend	Final temperature
  Tstart	Initial temperature

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