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, custom temperature program
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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  • Gas Phase Kinetics Database
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Van Den Dool and Kratz 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, Van Den Dool and Kratz 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.

Selli, Canbas, et al., 2006
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Gunata, Z., Aroma components of cv. Muscat of Bornova wines and influence of skin contact treatment, Food Chem., 2006, 94, 3, 319-326, https://doi.org/10.1016/j.foodchem.2004.11.019 . [all data]

Selli, Canbas, et al., 2006, 2
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Lepoutre, J.-P.; Gunata, Z., Effect of skin contact on the free and bound aroma compounds of the white wine of Vitis vinifera L. cv Narince, Food Control, 2006, 17, 1, 75-82, https://doi.org/10.1016/j.foodcont.2004.09.005 . [all data]

Aubert, Baumann, et al., 2005
Aubert, C.; Baumann, S.; Arguel, H., Optimization of the Analysis of Flavor Volatile Compounds by Liquid-Liquid Microextraction (LLME). Application to the Aroma Analysis of Melons, Peaches, Grapes, Strawberries, and Tomatoes, J. Agric. Food Chem., 2005, 53, 23, 8881-8895, https://doi.org/10.1021/jf0510541 . [all data]

Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C., Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis, J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m . [all data]

Selli, Cabaroglu, et al., 2004
Selli, S.; Cabaroglu, T.; Canbas, A.; Erten, H.; Nurgel, C.; Lepoutre, J.P.; Gunata, Z., Volatile composition of red wine from cv. Kalecik Karasi grown in central Anatolia, Food Chem., 2004, 85, 2, 207-213, https://doi.org/10.1016/j.foodchem.2003.06.008 . [all data]

Boido, Lloret, et al., 2003
Boido, E.; Lloret, A.; Medina, K.; Fariña, L.; Carrau, f.; Versini, G.; Dellacassa, E., Aroma composition of Vitis vinifera Cv. Tannat: the typical red wine from Uruguay, J. Agric. Food Chem., 2003, 51, 18, 5408-5413, https://doi.org/10.1021/jf030087i . [all data]

Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J., Free and bound flavour components of Amazonian fruits: 2. cupuacu volatile compounds, Flavour Fragr. J., 2000, 15, 4, 251-257, https://doi.org/10.1002/1099-1026(200007/08)15:4<251::AID-FFJ905>3.0.CO;2-2 . [all data]

Boulanger and Crouzet, 2000, 2
Boulanger, R.; Crouzet, J., Free and bound flavour components of Amazonian fruits: 3-glycosidically bound components of cupuacu, Food Chem., 2000, 70, 4, 463-470, https://doi.org/10.1016/S0308-8146(00)00112-6 . [all data]

Notes

Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References

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