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, non-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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | RTX-1 | HP-5 MS | SE-54 |
Column length (m) | 60. | 30. | 30. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.22 | 0.32 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | not specified | not specified | not specified | 35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0C |
I | 1262. | 1269. | 1208. | 1261. | 1261. |
Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Dib, Djabou, et al., 2010 | Pino, Marquez, et al., 2010 | Christlbauer and Schieberle, 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 5 Cb | DB-5 MS | DB-5 | HP-5 | DB-5 |
Column length (m) | 50. | 30. | 30. | 30. | |
Carrier gas | Nitrogen | Helium | He | Helium | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | |
Phase thickness (μm) | 1.20 | 1.0 | 0.25 | 0.25 | |
Program | 40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) | -10 0C (3 min) 50 0C/min -> 40 0C 5 0C/min -> 290 0C (5 min) | 40C(1min) => 7C/min => 110C => 5C/min => 180C => 10C/min => 240C(10min) | not specified | 40 0C (2 min) 40 0C/min -> 60 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min) |
I | 1250. | 1266. | 1268. | 1259. | 1261. |
Reference | Collin, Nizet, et al., 2008 | Watanabe, Ueda, et al., 2008 | Greger and Schieberle, 2007 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | 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 | HP-5 | DB-5 | SE-30 | OV-101 | HP-1 |
Column length (m) | 50. | 50. | 50. | ||
Carrier gas | N2 | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
Phase thickness (μm) | 1.05 | 1.05 | 0.52 | ||
Program | 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) | not specified | not specified | 40C => 2C/min => 130C => 4C/min => 250C |
I | 1277. | 1277. | 1225. | 1225. | 1215. |
Reference | Garcia-Estaban, Ansorena, et al., 2004 | Garcia-Estaban, Ansorena, et al., 2004, 2 | Vinogradov, 2004 | Krings, Banavara, et al., 2003 | Teai, Claude-Lafontaine, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-5 | Methyl Silicone | DB-1 | DB-1 |
Column length (m) | 30. | 30. | 30. | |
Carrier gas | He | H2 | H2 | |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
Program | 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C | not specified | 30C (2min) => 2C/min => 150C => 4C/min => 250C | 30C (2min) => 2C/min => 150C => 4C/min => 250C |
I | 1261. | 1230. | 1209. | 1210. |
Reference | Matsui, Guth, et al., 1998 | Misharina, 1995 | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J.,
Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation,
Chem, Centr. J., 2010, 4, 16, 1-15. [all data]
Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D.,
Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028
. [all data]
Christlbauer and Schieberle, 2009
Christlbauer, M.; Schieberle, P.,
Characterization of the key aroma compounds in beef and pork vegetable gravies a la chef by application of the aroma extract dilution analysis,
J. Agric. Food Chem., 2009, 57, 19, 9114-9112, https://doi.org/10.1021/jf9023189
. [all data]
Collin, Nizet, et al., 2008
Collin, S.; Nizet, S.; Muls, S.; Iraqi, R.; Bouseta, A.,
Characterization of odor-active compounds in extracts obtained by simultaneous extraction/distillation from Moroccan black olives,
J. Agric. Food Chem., 2008, 56, 9, 3273-3278, https://doi.org/10.1021/jf073488x
. [all data]
Watanabe, Ueda, et al., 2008
Watanabe, A.; Ueda, Y.; Higuchi, M.; Shiba, N.,
Analysis of volatile compounds in beef fat by dinamic-headspace solid phase microextraction combined with gas chromatography - mass spectrometry,
J. Food Sci., 2008, 73, 5, 420-425, https://doi.org/10.1111/j.1750-3841.2008.00764.x
. [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]
Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S.,
Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments,
J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z
. [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]
Garcia-Estaban, Ansorena, et al., 2004
Garcia-Estaban, M.; Ansorena, D.; Astiasaran, I.; Martin, D.; Ruiz, J.,
Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham,
J. Sci. Food Agric., 2004, 84, 11, 1364-1370, https://doi.org/10.1002/jsfa.1826
. [all data]
Garcia-Estaban, Ansorena, et al., 2004, 2
Garcia-Estaban, M.; Ansorena, D.; Astiasarán, I.; Ruiz, J.,
Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME),
Talanta, 2004, 64, 2, 458-466, https://doi.org/10.1016/j.talanta.2004.03.007
. [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]
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]
Misharina, 1995
Misharina, T.A.,
Sorption regularities of sulfur- and oxygen-containing compounds in chromatography and their application in identification of volatile organic compounds, Diss. degree of Dr. Sci. (Chemistry), 1995, 52. [all data]
Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W.,
Nectarine volatiles: vacuum steam distillation versus headspace sampling,
J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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