2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-

Formula: C₇H₁₀O₃
Molecular weight: 142.1525
IUPAC Standard InChI: InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h5,8H,3H2,1-2H3
IUPAC Standard InChIKey: IUFQZPBIRYFPFD-UHFFFAOYSA-N
CAS Registry Number: 698-10-2
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone; Abhexone; 2-Hexenoic acid, 2,4-dihydroxy-3-methyl-, γ-lactone; 3-hydroxy-5-ethyl-4-methyl-2-(5H)-furanone; 5-Ethyl-4-methyl-3-hydroxy-2(5H)furanone; 5-Ethyl-3-hydroxy-4-methylfuran-2(5H)-one; 4-Methyl-5-ethyl-3-hydroxyfuranone; Abhexon; 5-Ethyl-4-methyl-3-hydroxy-2(5H)furanone (Abhexone)
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Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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Normal alkane RI, polar column, custom temperature program

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	FFAP-CB	FFAP	DB-FFAP	FFAP	FFAP
Column length (m)	25.	25.	30.	30.	30.
Carrier gas	Nitrogen	Nitrogen	He	He	He
Substrate
Column diameter (mm)	0.32	0.32	0.32	0.32	0.32
Phase thickness (μm)	0.30	0.30	0.25	0.25	0.25
Program	36 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 220 0C	36 0C 20 0C/min -> 85 0C 1 0C -> 145 0C 3 0C/min -> 230 0C	40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min)	35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C	35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C
I	2304.	2304.	2247.	2250.	2250.
Reference	Collin, Nizet, et al., 2012	Bailly, Jerkovic, et al., 2009	Buettner, 2004	Schermann and Schieberle, 1997	Schermann and Schieberle, 1997
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	FFAP
Column length (m)
Carrier gas
Substrate
Column diameter (mm)
Phase thickness (μm)
Program	not specified
I	2270.
Reference	Blank, Sen, et al., 1992
Comment	MSDC-RI

References

Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes

Collin, Nizet, et al., 2012
Collin, S.; Nizet, S.; Bouuaert, T.C.; Despartures, P.-M., MAin odorants in Jura Flor-Sherry wines. Relative contributions of sotolon, abhexon, and theaspirane-derived compounds, J. Agr. Food Chem., 2012, 60, 1, 380-381, https://doi.org/10.1021/jf203832c . [all data]

Bailly, Jerkovic, et al., 2009
Bailly, S.; Jerkovic, V.; Meuree, A.; Timmermans, A.; Collin, S., Fate of key odorants in Sauternes wines through aging, J. Agric. Food Chem., 2009, 57, 18, 8557-8563, https://doi.org/10.1021/jf901429d . [all data]

Buettner, 2004
Buettner, A., Investigation of potent odorants and afterodor development in two chardonnay wines using the Buccal Odor Screening System (BOSS), J. Agric. Food Chem., 2004, 52, 8, 2339-2346, https://doi.org/10.1021/jf035322b . [all data]

Schermann and Schieberle, 1997
Schermann, P.; Schieberle, P., Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses, J. Agric. Food Chem., 1997, 45, 3, 867-872, https://doi.org/10.1021/jf960670h . [all data]

Blank, Sen, et al., 1992
Blank, I.; Sen, A.; Grosch, W., Potent odorants of the roasted powder and brew of Arabica coffee, Z. Lebensm. Unters Forsch., 1992, 195, 3, 239-245, https://doi.org/10.1007/BF01202802 . [all data]

Notes

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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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