3-Methyl-3-buten-1-ol, acetate

• Formula: C₇H₁₂O₂
• Molecular weight: 128.1690
• IUPAC Standard InChI: InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h1,4-5H2,2-3H3 Copy

  
• IUPAC Standard InChIKey: OCUAPVNNQFAQSM-UHFFFAOYSA-N Copy
• CAS Registry Number: 5205-07-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • 3-Methyl-3-butenyl acetate
• Other names: 3-Buten-1-ol, 3-methyl-, acetate; Acetic acid, 3-methylbut-3-enyl ester; 3-Buten-1-ol, 3-methyl-, 1-acetate; 3-Methyl-3-butenyl acetate; 1-Acetoxy-3-methyl-3-butene; 3-Methyl-3-buten-1-yl acetate; 3-methylbut-3-en-1-yl acetate; 3-methylbut-3-enyl acetate
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
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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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Van Den Dool and Kratz RI, polar column, temperature ramp

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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.

Rodríguez-Burruezo, Kollmannsberger, et al., 2004
Rodríguez-Burruezo, A.; Kollmannsberger, H.; Prohens, J.; Nitz, S.; Nuez, F., Analysis of the volatile aroma constituents of parental and hybrid clones of pepino (Solanum muricatum), J. Agric. Food Chem., 2004, 52, 18, 5663-5669, https://doi.org/10.1021/jf040107w . [all data]

Pino and Marbot, 2001
Pino, J.A.; Marbot, R., Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit, J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g . [all data]

Vahirua-Lechat, Menut, et al., 1996
Vahirua-Lechat, I.; Menut, C.; Roig, B.; Bessiere, J.M.; Lamaty, G., Isoprene related esters, significant components of Pandanus tectorius, Phytochemistry, 1996, 43, 6, 1277-1279, https://doi.org/10.1016/S0031-9422(96)00386-X . [all data]

Tret'yakov, 2008
Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]

Sampaio and Nogueira, 2006
Sampaio, T.S.; Nogueira, P.C.L., Volatile components of mangaba fruit (Hancornia speciosa Gomes) at three stages of maturity, Food Chem., 2006, 95, 4, 606-610, https://doi.org/10.1016/j.foodchem.2005.01.038 . [all data]

Boulanger and Crouzet, 2001
Boulanger, R.; Crouzet, J., Identification of the aroma components of acerola (Malphigia glabra L.): free and bound flavor compounds, Food Chem., 2001, 74, 2, 209-216, https://doi.org/10.1016/S0308-8146(01)00128-5 . [all data]

Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D., Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages, Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028 . [all data]

Takeoka, Hobbs, et al., 2010
Takeoka, G.R.; Hobbs, C.; Byeoung-Soo, P., Volatile constituents of the aerial parts of Salvia apiana Jepson, J. Essential Oil. Res., 2010, 22, 3, 241-244, https://doi.org/10.1080/10412905.2010.9700314 . [all data]

Kubota T., Dorea H.S., et al., 2006
Kubota T.; Dorea H.S.; de Lima Nogueira P.C., Constituintes voláteis dos frutos de Hancornia speciosa (Apocynaceae), 29a Reunião Anual da Sociedade Brasileira de Química, PN-271, 2006, retrieved from https://sec.sbq.org.br/cd29ra/listaresumo.htm, https://sec.sbq.org.br/cd29ra/resumos/T1917-1.pdf. [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [all data]

Takeoka, Buttery, et al., 1991
Takeoka, G.R.; Buttery, R.G.; Teranishi, R.; Flath, R.A.; Güntert, M., Identification of additional pineapple volatiles, J. Agric. Food Chem., 1991, 39, 10, 1848-1851, https://doi.org/10.1021/jf00010a032 . [all data]

Rowan, Hunt, et al., 2009
Rowan, D.D.; Hunt, M.B.; Dimouro A.; Alspach P.A.; Weskett R.; Volz, R.K.; Gardiner, S.E.; Chagne, D., Profiling fruit volatiles in the progeny of a Royal Gala x Granny Smith apple (Malus x domestica) cross, J. Agr. Food Chem., 2009, 57, 17, 7953-7961, https://doi.org/10.1021/jf901678v . [all data]

Notes

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