2,4-Hexadienoic acid, ethyl ester, (2E,4E)-

• Formula: C₈H₁₂O₂
• Molecular weight: 140.1797
• IUPAC Standard InChI: InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+ Copy

  
• IUPAC Standard InChIKey: OZZYKXXGCOLLLO-TWTPFVCWSA-N Copy
• CAS Registry Number: 2396-84-1
• 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 2,4-dimethyl-2,4-hexadienoate, not E,E, # 1
  • Ethyl 2,4-dimethyl-2,4-hexadienoate, not E,E, # 2
• Other names: Sorbic acid, ethyl ester; Ethyl sorbate; Ethyl 2,4-hexadienoate, (E,E)-; 2,4-Hexadienoic acid, ethyl ester, (E,E)-; Ethylhexa-2,4-dienoate, (trans,trans)-; (E,E)-Ethyl 2,4-hexadienoate; Ethyl (2E,4E)-2,4-hexadienoate; (E,E)-2,4-hexadienoic acid ethyl ester; NSC 8874; (2E,4E)-Ethyl hexa-2,4-dienoate; 5941-48-0; 91660-95-6; 2,4-Hexadienoic acid, ethyl ester; Ethyl 2,4-hexadienoate; Ethyl sorbitate; Ethyl hexa-2,4-dienoate
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• Information on this page:
  • Van Den Dool and Kratz RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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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

References

Go To: Top, Van Den Dool and Kratz RI, non-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.

Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R., Volatile components from mango (Mangifera indica L.) cultivars, J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633 . [all data]

Chisholm and Samuels, 1992
Chisholm, M.G.; Samuels, J.M., Determination of the impact of the metabolites of sorbic acid on the ordor of a spoiled red wine, J. Agric. Food Chem., 1992, 40, 4, 630-633, https://doi.org/10.1021/jf00016a021 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, non-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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