Hexanoic acid, propyl ester

• Formula: C₉H₁₈O₂
• Molecular weight: 158.2380
• IUPAC Standard InChI: InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: HTUIWRWYYVBCFT-UHFFFAOYSA-N Copy
• CAS Registry Number: 626-77-7
• 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.
• Isotopologues:
  • propyl hexanoate-d11
  • propyl hexanoate-d3
• Other names: Propyl caproate; Propyl hexanoate; n-Propyl n-hexanoate; n-propyl hexanoate
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• Information on this page:
  • Van Den Dool and Kratz RI, non-polar column, custom temperature program
  • 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, custom temperature program

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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, custom temperature program, Notes

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

Passos X.S., Castro A.C.M., et al., 2003
Passos X.S.; Castro A.C.M.; Pires J.S.; Garcia A.C.F.; Campos F.C.; Fernandes O.F.L.; Paula J.R.; Ferreira H.D.; Santos S.C.; Ferri P.H.; Silva M.D.R., Composition and antifungal activity of the essential oils of Caryocar brasiliensis, Pharm. Biol., 2003, 41, 5, 319-324, https://doi.org/10.1076/phbi.41.5.319.15936 . [all data]

Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C., Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction, J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768 . [all data]

Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A., Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system, J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3 . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Notes

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