Benzoic acid, hexyl ester

• Formula: C₁₃H₁₈O₂
• Molecular weight: 206.2808
• IUPAC Standard InChI: InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 Copy

  
• IUPAC Standard InChIKey: UUGLJVMIFJNVFH-UHFFFAOYSA-N Copy
• CAS Registry Number: 6789-88-4
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: n-Hexyl benzoate; Hexyl benzoate; Benzoic acid n-hexyl ester; Hexylester kyseliny benzoove
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Van Den Dool and Kratz RI, non-polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • 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.

Zaikin, 2010
Zaikin, V.G., Personal communication: Retention indices measured during 2010, 2010. [all data]

Zhao C.X., Li, et al., 2006
Zhao C.X.; Li, X.N.; Liang Y.Z.; Fang H.Z.; Huang L.F.; Guo F.Q., Comparative analysis of chemical components of essential oils from different samples of Rhododendron with the help of chemometrics methods, Chemom. Intell. Lab. Syst., 2006, 82, 1-2, 218-228, https://doi.org/10.1016/j.chemolab.2005.08.008 . [all data]

Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T., Volatile constituents of Cerastium candidissimum, a Greek endemic species, Flavour Fragr. J., 2000, 15, 3, 174-176, https://doi.org/10.1002/1099-1026(200005/06)15:3<174::AID-FFJ886>3.0.CO;2-Y . [all data]

Wang and Sun, 1987
Wang, T.; Sun, Y., On the influence of the solute sample size on temperature-programmed retention indices, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1987, 10, 11, 603-606, https://doi.org/10.1002/jhrc.1240101105 . [all data]

Wang and Sun, 1987, 2
Wang, T.; Sun, Y., Reproducibility of Temperature-Programmed Retention Indices on Several OV-101 Columns, J. Chromatogr., 1987, 407, 79-86, https://doi.org/10.1016/S0021-9673(01)92606-8 . [all data]

Wang, Zhong, et al., 1987
Wang, T.; Zhong, B.; Chen, M.; Sun, Y., Definitions and Methods of Calculation of the Temperature-Programmed Retention Index, I_TP. III. A Simplified Calculation Method Based on the Extended Kovats Definition, J. Chromatogr., 1987, 390, 2, 275-283, https://doi.org/10.1016/S0021-9673(01)94381-X . [all data]

Korhonen, 1986
Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XLV. Retention Behaviour of C₁-C₁₂ n-Alkyl Esters of Benzoic, 4-Nitrobenzoic and 3,5-Dinitrobenzoic Acids on SE-30 and OV-351 Capillary Columns, J. Chromatogr., 1986, 356, 285-299, https://doi.org/10.1016/S0021-9673(00)91489-4 . [all data]

Korhonen and Lind, 1985
Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C₁-C₁₂ n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 1985, 322, 83-96, https://doi.org/10.1016/S0021-9673(01)97661-7 . [all data]

van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec., A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography, J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X . [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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