2-Butenoic acid, 2-methyl-, 2-methylpropyl ester

• Formula: C₉H₁₆O₂
• Molecular weight: 156.2221
• IUPAC Standard InChI: InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5+ Copy

  
• IUPAC Standard InChIKey: XDEGQMQKHFPBEW-VMPITWQZSA-N Copy
• CAS Registry Number: 66917-61-1
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (E)-
  • 2-Methyl propyl 2-methyl 2-butenoate
• Stereoisomers:
  • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (Z)-
• Other names: Isobutyl 2-methyl-2-butenoate; Isobutyl tiglate
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
• Options:
  • Switch to calorie-based units

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

Kovats' RI, non-polar column, custom temperature program

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Normal alkane RI, non-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.

Tuberoso, Kowalczyk, et al., 2005
Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P., Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All., J. Agric. Food Chem., 2005, 53, 26, 10148-10153, https://doi.org/10.1021/jf0518913 . [all data]

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [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]

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

Adams and Dev, 2010
Adams, R.P.; Dev, V., Synthesis and GC-MS analysis of angelates and tiglates as an aid to identification of these components in essential oils, Flavour Fragr. J., 2010, 25, 2, 71-74, https://doi.org/10.1002/ffj.1968 . [all data]

Notes

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