sec-Butyl acetate

• Formula: C₆H₁₂O₂
• Molecular weight: 116.1583
• IUPAC Standard InChI: InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: DCKVNWZUADLDEH-UHFFFAOYSA-N Copy
• CAS Registry Number: 105-46-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Acetic acid, 1-methylpropyl ester; Acetic acid, sec-butyl ester; sec-Butyl alcohol acetate; 2-Butyl acetate; CH3COOCH(CH3)C2H5; Acetic acid, 2-butoxy ester; dl-sec-Butyl acetate; sec-Butyl ethanoate; Acetate de butyle secondaire; 1-Methylpropyl acetate; 1-Methylpropyl ethanoate; 2-Butanol acetate; NSC 8034
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• Information on this page:
  • Normal alkane RI, polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Normal alkane RI, 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, Normal alkane RI, 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.

Xiao, Dai, et al., 2011
Xiao, Z.; Dai, S.; Niu, Y.; Yu, H.; Zhu, J.; Tian, H.; Gu, Y., Discrimination of Chinese vinegars based on headspace solid-phase microextraction - gas chromatography mass spectrometry of volatile compounds and multivariate analysis, J. Food Sci., 2011, 76, 8, c1125-c1135, https://doi.org/10.1111/j.1750-3841.2011.02356.x . [all data]

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

Notes

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