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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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | TNO Volatile Compounds in Food - Chemical Concepts |
| NIST MS number | 249618 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
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
| 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; Tstart: 0. C; Tend: 230. C |
| Capillary | OV-1 | 1413. | Schreyen, Dirinck, et al., 1976, 2 | N2, 1. K/min; Column length: 183. m; Tstart: 0. C; Tend: 230. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| 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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1434. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| 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
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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