3(2H)-Furanone, 2-hexyl-5-methyl-

Formula: C₁₁H₁₈O₂
Molecular weight: 182.2594
IUPAC Standard InChI: InChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3
IUPAC Standard InChIKey: AAUWBAWSKVOBFL-UHFFFAOYSA-N
CAS Registry Number: 33922-66-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: 2-Hexyl-5-methyl-3(2H)-furanone; 2,3-Dihydro-2-n-hexyl-5-methyl-furan-3-one; 2,3-Dihydro-5-methyl-2-n-hexylfuran-3-one; 2-Hexyl-5-methyl-2(3H)-furan-3-one; 2-Hexyl-5-methyl-(2H)-furan-3-one; 2-Hexyl-5-methylfuran-3(2H)-one
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

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

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

Column type	Active phase	I	Reference	Comment
Capillary	OV-1	1413.	Schreyen, Dirinck, et al., 1976	1. K/min; Column length: 183. m; Column diameter: 0.762 mm; T_start: 0. C; T_end: 230. C
Capillary	OV-1	1413.	Schreyen, Dirinck, et al., 1976, 2	N2, 1. K/min; Column length: 183. m; T_start: 0. C; T_end: 230. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1446.1	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	SE-30	1434.	Vinogradov, 2004	Program: not specified

Normal alkane RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1999.	Chyau and Mau, 2001	60. m/0.32 mm/0.25 μm, 50. C @ 5. min, 1.5 K/min, 210. C @ 10. min
Capillary	CP-Wax 52CB	1999.	Chyau, Lin, et al., 1997	50. m/0.32 mm/0.25 μm, He, 50. C @ 5. min, 1.5 K/min, 210. C @ 10. min

References

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Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N., Analysis of leek volatiles by headspace condensation, J. Agric. Food Chem., 1976, 24, 6, 1147-1152, https://doi.org/10.1021/jf60208a023 . [all data]

Schreyen, Dirinck, et al., 1976, 2
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N., Volatile flavor components of leek, J. Agric. Food Chem., 1976, 24, 2, 336-341, https://doi.org/10.1021/jf60204a056 . [all data]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

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

Chyau and Mau, 2001
Chyau, C.-C.; Mau, J.-L., Effects of various oils on volatile compounds of deep-fried shallot flavouring, Food Chem., 2001, 74, 1, 41-46, https://doi.org/10.1016/S0308-8146(00)00336-8 . [all data]

Chyau, Lin, et al., 1997
Chyau, C.-C.; Lin, Y.-C.; Mau, J.-L., Storage stability of deep-fried shallot flavoring, J. Agric. Food Chem., 1997, 45, 8, 3211-3215, https://doi.org/10.1021/jf970109z . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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