2(3H)-Furanone, 5-butyldihydro-
- Formula: C8H14O2
- Molecular weight: 142.1956
- IUPAC Standard InChIKey: IPBFYZQJXZJBFQ-UHFFFAOYSA-N
- CAS Registry Number: 104-50-7
- 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: γ-Butyl-γ-butyrolactone; γ-Butylbutyrolactone; γ-Octalactone; γ-Octanolactone; Octanoic acid, 4-hydroxy-, γ-lactone; 4-Butyl-γ-butyrolactone; 4-Hydroxyoctanoic acid lactone; 4-Octanolide; 5-Butyltetrahydro-2-furanone; γ-n-Butyl-γ-butyrolactone; Octanoic acid, γ lactone; Octanolide-1,4; 2(3H)-Furanone, dihydro-5-butyl-; 4-Hydroxyoctanoic acid, γ-lactone; γ -0ctalactone; 5-Butyldihydrofuran-2(3H)-one; NSC 24270; Octan-4-olide; Octanoic acid, 4-hydroxy-, lactone; 5-Butyldihydro-2(3H)-furanone; (R/S)-γ-octalactone; γ-Octanolide
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- Other data available:
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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-FFAP | HP-Innowax | CP-Wax 58CB |
Column length (m) | 30. | 30. | 30. | 60. | 25. |
Carrier gas | Helium | Helium | He | Nitrogen | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.20 |
Program | not specified | not specified | 40C(1min) => 7C/min => 180C => 10C/min => 240C (10min) | 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C | 40 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min) |
I | 1915. | 1937. | 1910. | 1886. | 1895. |
Reference | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Greger and Schieberle, 2007 | Quijano and Pino, 2006 | Tokitomo, Steihaus, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | Carbowax 20M | Nukol | DB-Wax | DB-Wax |
Column length (m) | 50. | 25. | 30. | 30. | |
Carrier gas | Helium | N2 | |||
Substrate | |||||
Column diameter (mm) | 0.70 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | not specified | not specified | 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min) | 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) | 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) |
I | 1883. | 1923. | 1940. | 1883. | 1888. |
Reference | Krings, Banavara, et al., 2003 | Saura, LAencina, et al., 2003 | López and Dufour, 2001 | Mayorga, Knapp, et al., 2001 | Mayorga, Knapp, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Carbowax 20M | FFAP | Supelcowax-10 |
Column length (m) | 50. | 30. | 30. |
Carrier gas | N2 | He | |
Substrate | |||
Column diameter (mm) | 0.2 | 0.32 | 0.53 |
Phase thickness (μm) | 0.2 | 0.25 | 0.25 |
Program | 60C => 2C/min => 150C => 4C/min => 220C | 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C | 80C(5min) => 5C/min => 155C => 4C/min => 240C(30min) |
I | 1866. | 1881. | 1943. |
Reference | Teai, Claude-Lafontaine, et al., 2001 | Matsui, Guth, et al., 1998 | Miranda-Lopez, Libbey, et al., 1992 |
Comment | MSDC-RI | 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]
Greger and Schieberle, 2007
Greger, V.; Schieberle, P.,
Characterization of the Key Aroma Compounds in Apricots (Prunus armeniaca) by Application of the Molecular Sensory Science Concept,
J. Agric. Food Chem., 2007, 55, 13, 5221-5228, https://doi.org/10.1021/jf0705015
. [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]
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]
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]
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]
López and Dufour, 2001
López, M.G.; Dufour, J.P.,
Chapter 6. Tequilas: charm analysis of Blanco, Teposado, and Anejo tequilas,
Am. Chem. Soc. Symp. Ser., 2001, 782, 62-72. [all data]
Mayorga, Knapp, et al., 2001
Mayorga, H.; Knapp, H.; Winterhalter, P.; Duque, C.,
Glycosidically bound flavor compounds of cape gooseberry (Physalis peruviana L.),
J. Agric. Food Chem., 2001, 49, 4, 1904-1908, https://doi.org/10.1021/jf0011743
. [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]
Matsui, Guth, et al., 1998
Matsui, T.; Guth, H.; Grosch, W.,
A comparative study of potent odorants in peanut, hazelnut, and pumpkin seed oils on the basis of aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry of headspace samples (GCOH),
Lipid - Fett, 1998, 100, 2, 51-56, https://doi.org/10.1002/(SICI)1521-4133(199802)100:2<51::AID-LIPI51>3.0.CO;2-W
. [all data]
Miranda-Lopez, Libbey, et al., 1992
Miranda-Lopez, R.; Libbey, L.M.; Watson, B.T.; McDaniel, M.R.,
Odor analysis of Pinot noir wines from grapes of different maturities by a gas chromatography-olfactometry technique (Osme),
J. Food Sci., 1992, 57, 4, 985-993, https://doi.org/10.1111/j.1365-2621.1992.tb14339.x
. [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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