Methyl sorbate

• Formula: C₇H₁₀O₂
• Molecular weight: 126.1531
• IUPAC Standard InChI: InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+ Copy

  
• IUPAC Standard InChIKey: KWKVAGQCDSHWFK-VNKDHWASSA-N Copy
• CAS Registry Number: 689-89-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • 2,4-Hexadienoic acid, methyl ester
• Other names: 2,4-Hexadienoic acid, methyl ester, (E,E)-; Sorbic acid, methyl ester, (E,E)-; Methyl trans,trans-sorbate; 2-trans-4-trans-Methyl sorbate; Methyl (E,E)-sorbate; Sorbic acid, methyl ester; Methyl (2E,4E)-hexadienoate; Methyl (2E,4E)-2,4-hexadienoate; (E,E)-2,4-Hexadienoic acid methyl ester; Methyl (E,E)-2,4-hexadienoate; Methyl (E,E)-hexa-2,4-dienoate; 2,4-Hexadienoic acid, methyl ester, (2E,4E)-
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
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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

Van Den Dool and Kratz RI, 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.

Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.), J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014 . [all data]

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

Shimoda, Shiratsuchi, et al., 1993
Shimoda, M.; Shiratsuchi, H.; Minegishi, Y.; Osajima, Y., Flavor deterioration of nonfermented coarse-cut sausage during storage. Flavor as a factor of quality for nonfermented sausage. 2, J. Agric. Food Chem., 1993, 41, 6, 946-950, https://doi.org/10.1021/jf00030a021 . [all data]

Notes

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