Butanoic acid, 3-hydroxy-, ethyl ester

• Formula: C₆H₁₂O₃
• Molecular weight: 132.1577
• IUPAC Standard InChI: InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: OMSUIQOIVADKIM-UHFFFAOYSA-N Copy
• CAS Registry Number: 5405-41-4
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Ethyl β-hydroxybutyrate; Ethyl 3-hydroxybutyrate; CH3CH(OH)CH2C(O)OC2H5; dl-β-Hydroxy-n-butyric acid ethyl ester; Ethyl-dl-β-hydroxy n-butyrate; DL-3-Hydroxy-n-butyrate ethyl ester; Butanoic acid, 3-hydroxy-, ethyl ester, (.+/-.)-; Ethyl DL-3-hydroxybutyrate; Ethyl beta-hydroxybutyrate; Butyric acid, 3-hydroxy-, ethyl ester; Butyric acid, β-hydroxy-, ethyl ester; NSC 42916; NSC 8115; Ethyl 3-hydroxybutanoate; Ethyl-dl-beta-hydroxy n-butyrate
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• Information on this page:
  • Van Den Dool and Kratz RI, polar column, temperature ramp
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Van Den Dool and Kratz RI, 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, 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.

Aubert C. and Pitrat M., 2006
Aubert C.; Pitrat M., Volatile compounds in the skin and pulp of Queen Anne's pocket melon, J. Agric. Food Chem., 2006, 54, 21, 8177-8182, https://doi.org/10.1021/jf061415s . [all data]

Lee, Lee, et al., 2006
Lee, S.-J.; Lee, J.-E.; Kim, H.-W.; Kim, S.-S.; Koh, K.-H., Development of Korean red wines using Vitis labrusca varieties: instrumental and sensory characterization, Food Chem., 2006, 94, 3, 385-393, https://doi.org/10.1016/j.foodchem.2004.11.035 . [all data]

Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C., Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.), J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c . [all data]

Chung, Fung, et al., 2005
Chung, H.Y.; Fung, P.K.; Kim, J.-S., Aroma impact components in commercial plain sufu, J. Agric. Food Chem., 2005, 53, 5, 1684-1691, https://doi.org/10.1021/jf048617d . [all data]

Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D., Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry, J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y . [all data]

Brat, Rega, et al., 2003
Brat, P.; Rega, B.; Alter, P.; Reynes, M.; Brillouet, J.-M., Distribution of volatile compounds in the pulp, cloud, and serum of freshly squeezed orange juice, J. Agric. Food Chem., 2003, 51, 11, 3442-3447, https://doi.org/10.1021/jf026226y . [all data]

Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R., Volatile components of papaya (Carica papaya L., maradol variety) fruit, Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248 . [all data]

Kim T.H., Kim T.H., et al., 2002
Kim T.H.; Kim T.H.; Shin J.H.; Yu E.J.; Kim Y.S.; Lee H.J., Characteristics of aroma-active compounds in the pectin-elicited suspension culture of Zanthoxylum piperitum (prickly ash), Biotechnology Letters, 2002, 24, 7, 551-556, https://doi.org/10.1023/A:1014812508441 . [all data]

Pet'ka, Mocák, et al., 2001
Pet'ka, J.; Mocák, J.; Farkas, P.; Balla, B.; Kovác, M., Classification of Slovak varietal white wines by volatile compounds, J. Sci. Food Agric., 2001, 81, 15, 1533-1539, https://doi.org/10.1002/jsfa.979 . [all data]

Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C., Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit, J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r . [all data]

Serot, Prost, et al., 2001
Serot, T.; Prost, C.; Visan, L.; Burcea, M., Identification of the main odor-active compounds in musts from French and Romanian hybrids by three olfactometric methods, J. Agric. Food Chem., 2001, 49, 4, 1909-1914, https://doi.org/10.1021/jf0012291 . [all data]

Charles, Martin, et al., 2000
Charles, M.; Martin, B.; Ginies, C.; Etievant, P.; Coste, G.; Guichard, E., Potent aroma compounds of two red wine vinegars, J. Agric. Food Chem., 2000, 48, 1, 70-77, https://doi.org/10.1021/jf9905424 . [all data]

Chung, 2000
Chung, H.Y., Volatile flavor components in red fermented soybean (Glycine max) curds, J. Agric. Food Chem., 2000, 48, 5, 1803-1809, https://doi.org/10.1021/jf991272s . [all data]

Chung, 1999
Chung, H.Y., Volatile components in fermented soybean (Glycine max) curds, J. Agric. Food Chem., 1999, 47, 7, 2690-2696, https://doi.org/10.1021/jf981166a . [all data]

Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G., Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures, J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605 . [all data]

Iwaoka, Hagi, et al., 1994
Iwaoka, W.; Hagi, Y.; Umano, K.; Shibamoto, T., Volatile chemicals identified in fresh and cooked breadfruit, J. Agric. Food Chem., 1994, 42, 4, 975-976, https://doi.org/10.1021/jf00040a026 . [all data]

Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.), J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, 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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