2(3H)-Furanone, 5-hexyldihydro-
- Formula: C10H18O2
- Molecular weight: 170.2487
- IUPAC Standard InChIKey: IFYYFLINQYPWGJ-UHFFFAOYSA-N
- CAS Registry Number: 706-14-9
- 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. - Stereoisomers:
- Other names: γ-Decalactone; γ-Decanolactone; γ-Hexyl-γ-butyrolactone; γ-Hexylbutyrolactone; Decanoic acid, 4-hydroxy-, γ-lactone; Decanolactone; 4-Decalactone; 4-Decanolide; 4-Hexyl-γ-butyrolactone; 4-Hexyl-4-butanolide; 4-Hydroxydecanoic acid, γ-lactone; 5-Hexyldihydro-2(3H)-furanone; 5-Hexyltetrahydro-2-furanone; γ-n-Decalactone; γ-n-Hexyl-γ-butyrolactone; Decanoic acid, γ-lactone; Decanolide-1,4; Hydroxydecanoic acid γ-lactone; 4-Hydroxydecanoic acid lactone; γ-Decanolide; Decan-4-olide; (.+/-.)-γ-Decanolactone; NSC 24248; NSC 26510
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Normal alkane RI, polar column, custom temperature program
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | FFAP | DB-Wax |
Column length (m) | 30. | 30. | 25. | 60. | |
Carrier gas | Helium | Helium | Nitrogen | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.30 | 0.50 | |
Program | not specified | not specified | not specified | 36 0C 20 0C/min -> 85 0C 1 0C -> 145 0C 3 0C/min -> 230 0C | 40 0C (3 min) 10 0C/min -> 90 0C 2 0C/min -> 230 0C (37 min) |
I | 2138. | 2145. | 2094. | 2139. | 2141. |
Reference | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Parker, Tsormpatsidis, et al., 2010 | Bailly, Jerkovic, et al., 2009 | Loscos, Hernandez-Orte, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-FFAP | DB-Wax | DB-Wax | DB-Wax Etr |
Column length (m) | 30. | 30. | 30. | 60. | |
Carrier gas | Helium | Hydrogen | Hydrogen | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | |
Program | not specified | 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) | 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C | not specified | 40C(3min) => 10C/min => 90C => 2C/min => 230C (37min) |
I | 2100. | 2137. | 2131. | 2103. | 2141. |
Reference | Frauendorfer and Schieberle, 2008 | Buettner, 2007 | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Loskos, Hernandez-Orte, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP Innowax FSP | HP-Innowax | DB-FFAP | CP-Wax 58CB | Carbowax 20M |
Column length (m) | 60. | 60. | 30. | 25. | |
Carrier gas | N2 | Nitrogen | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.20 | |
Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min=230C(10min) | 40 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min) | not specified |
I | 2183. | 2100. | 2137. | 2131. | 2101. |
Reference | Tabanca N., Demirci B., et al., 2007 | Quijano and Pino, 2006 | Buettner and Mestres, 2005 | Tokitomo, Steihaus, et al., 2005 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | CP-WAX 57CB | Carbowax 20M | Carbowax 20M | FFAP |
Column length (m) | 50. | 50. | 50. | 30. | |
Carrier gas | He | Helium | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.70 | 0.2 | 0.32 | |
Phase thickness (μm) | 0.2 | 0.2 | 0.25 | ||
Program | not specified | 40C(10min) => 5C/min => 100C => 3C/min => 180C => 20C/min => 210C (10min) | not specified | 60C => 2C/min => 150C => 4C/min => 220C | not specified |
I | 2101. | 2173. | 2130. | 2090. | 2125. |
Reference | Krings, Banavara, et al., 2003 | Martí, Mestres, et al., 2003 | Saura, LAencina, et al., 2003 | Teai, Claude-Lafontaine, et al., 2001 | Lambert, Demazeau, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | FFAP | FFAP |
Column length (m) | 30. | 30. |
Carrier gas | He | He |
Substrate | ||
Column diameter (mm) | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 |
Program | 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 | 2155. | 2155. |
Reference | Schermann and Schieberle, 1997 | Schermann and Schieberle, 1997 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002
. [all data]
Parker, Tsormpatsidis, et al., 2010
Parker, J.K.; Tsormpatsidis, E.; Elmore, J.S.; Wagstaffe, A.; Mottram, D.S.,
Solid-phase extraction as a routine method for comparing key aroma compounds in fruits
in Expression of Multidisciplinary Flavour Science, Blank, I.; Wust, M.; Yeretzian C., ed(s)., Zurcher Hochschule fur Angewandte Wissenschaften, Wadenswil, Switzerland, 2010, 521-524. [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]
Loscos, Hernandez-Orte, et al., 2009
Loscos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V.,
Fate of grape flavor precursors during storage on yeast lees,
J. Agric. Food Chem., 2009, 57, 12, 5468-5479, https://doi.org/10.1021/jf804057q
. [all data]
Frauendorfer and Schieberle, 2008
Frauendorfer, F.; Schieberle, P.,
Changes in key aroma compounds of criollo cocoa beans during roasting,
J. Agric. Food Chem., 2008, 56, 21, 10244-10251, https://doi.org/10.1021/jf802098f
. [all data]
Buettner, 2007
Buettner, A.,
A selective and sensitive approach to characterize odour-active and volatile constituents in small-scale human milk samples,
Flavour Fragr. J., 2007, 22, 6, 465-473, https://doi.org/10.1002/ffj.1822
. [all data]
Gonzalez-Rios, Suarez-Quiroz, et al., 2007
Gonzalez-Rios, O.; Suarez-Quiroz, M.L.; Boulanger, R.; Barel, M.; Guyot, B.; Guiraud, J.-P.; Schorr-Galindo, S.,
Impact of ecological post-harvest processing of coffee aroma: II Roasted coffee.,
J. Food Composition Analysis, 2007, 20, 3-4, 297-307, https://doi.org/10.1016/j.jfca.2006.12.004
. [all data]
Loskos, Hernandez-Orte, et al., 2007
Loskos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V.,
Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions,
J. Agric. Food Chem., 2007, 55, 16, 6674-6684, https://doi.org/10.1021/jf0702343
. [all data]
Tabanca N., Demirci B., et al., 2007
Tabanca N.; Demirci B.; Crockett S.L.; Baser K.H.C.; Wedge D.E.,
Chemical composition and antifungal activity of Arnica longifolia, Aster hesperius, and Chrysothamnus nauseosus essential oils,
J. Agric. Food Chem., 2007, 55, 21, 8430-8435, https://doi.org/10.1021/jf071379c
. [all data]
Quijano and Pino, 2006
Quijano, C.E.; Pino, J.A.,
Changes in volatile constituents during the ripening of cocona (Solanum sessiliflorum Dunal) fruit,
Revista CENIC Ciencias Quimicas, 2006, 37, 3, 133-136. [all data]
Buettner and Mestres, 2005
Buettner, A.; Mestres, M.,
Investigation of the retronasal perception of strawberry aroma aftersmell depending on matrix composition,
J. Agric. Food Chem., 2005, 53, 5, 1661-1669, https://doi.org/10.1021/jf048502+
. [all data]
Tokitomo, Steihaus, et al., 2005
Tokitomo, Y.; Steihaus, M.; Buttner, A.; Schieberle, P.,
Odor-Active Constituents in Fresh Pineapple (ananas comosus [L.] Merr.) by Quamtitative and Sensory Evaluations,
Biosci. Biotechnol, Biochem,, 2005, 69, 7, 1323-1330, https://doi.org/10.1271/bbb.69.1323
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Krings, Banavara, et al., 2003
Krings, U.; Banavara, D.S.; Berger, R.G.,
Thin layer high vacuum distillation to isolate the flavor of high-fat food,
Eur. Food Res. Technol., 2003, 217, 1, 70-73, https://doi.org/10.1007/s00217-003-0700-9
. [all data]
Martí, Mestres, et al., 2003
Martí, M.P.; Mestres, M.; Sala, C.; Busto, O.; Guasch, J.,
Solid-phase microextraction and gas chromatography olfactometry analysis of successively diluted samples. A new approach of the aroma extract dilution analysis applied to the characterization of wine aroma,
J. Agric. Food Chem., 2003, 51, 27, 7861-7865, https://doi.org/10.1021/jf0345604
. [all data]
Saura, LAencina, et al., 2003
Saura, D.; LAencina, J.; Perez-Lopez, A.J.; Lizama, V.; Carbonell-Barrachina, A.A.,
Aroma of canned peach halves acidified with clarified lemon juice,
J. Food Sci., 2003, 68, 3, 1080-1085, https://doi.org/10.1111/j.1365-2621.2003.tb08292.x
. [all data]
Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F.,
Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia,
J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222
. [all data]
Lambert, Demazeau, et al., 1999
Lambert, Y.; Demazeau, G.; Largeteau, A.; Bouvier, J.-M.,
Changes in aromatic volatile composition of strawberry after high pressure treatment,
Food Chem., 1999, 67, 1, 7-16, https://doi.org/10.1016/S0308-8146(99)00084-9
. [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]
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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