Butanoic acid, 2-methyl-, 2-methylbutyl ester

• Formula: C₁₀H₂₀O₂
• Molecular weight: 172.2646
• IUPAC Standard InChI: InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: PVYFCGRBIREQLL-UHFFFAOYSA-N Copy
• CAS Registry Number: 2445-78-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Isotopologues:
  • 2-methylbutyl 2-methylbutanoate-d-3
  • 2-methylbutyl-d-3 2-methylbutanoate
  • 2-methylbutyl-d-3 2-methylbutanoate-d-3
• Other names: Butyric acid, 2-methyl-, 2-methylbutyl ester; 2-Methylbutyl 2-methylbutanoate; 2-Methylbutyl 2-methylbutyrate; dl-2-Methylbutyric acid 2-methylbutyl ester; 2-Methylbutanoic acid 2-methylbutyl ester; 2-Methyl buthyl 2-methyl butanoate
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• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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Normal alkane 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, Normal alkane 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.

Nance and Setzer, 2011
Nance, M.R.; Setzer, W.N., Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing, J. of Brewing and Distilling, 2011, 2, 2, 16-22. [all data]

Leela, Vipin, et al., 2009
Leela, N.K.; Vipin, T.M.; Shafeekh, K.M.; Priyanka, V.; Rema, J., Chemical composition of essential oils from aerial parts of Cinnamomum malabatrum (Burman f.) Bercht Presl., Flavor Fragr. J., 2009, 24, 1, 13-16, https://doi.org/10.1002/ffj.1910 . [all data]

Tognolini, Barocelli, et al., 2006
Tognolini, M.; Barocelli, E.; Ballabeni, V.; Bruni, R.; Bianchi, A.; Chiavarini, M.; Impicciatore, M., Comparative screening of plant essential oils: Phenylpropanoid moiety as basic core for antiplatelet activity, Life Sciences, 2006, 78, 13, 1419-1432, https://doi.org/10.1016/j.lfs.2005.07.020 . [all data]

Binder and Flath, 1989
Binder, R.G.; Flath, R.A., Volatile components of pineapple guava, J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References

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