2(5H)-Furanone, 3-hydroxy-4,5-dimethyl-
- Formula: C6H8O3
- Molecular weight: 128.1259
- IUPAC Standard InChIKey: UNYNVICDCJHOPO-UHFFFAOYSA-N
- CAS Registry Number: 28664-35-9
- 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. - Other names: Sotolone; 4,5-Dimethyl-3-hydroxy-2(5H)-furanone; Furan-2(5H)-one, 3-hydroxy-4,5-dimethyl-; 3-Hydroxy-4,5-dimethyl-2(5H)-furanone; Sotolon; 3-Hydroxy-4,5-dimethyl-5H-furan-2-one; 3-Hydroxy-4,5-dimethylfuran-2(5H)-one; 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one; 2,3-Dimethyl-4-hydroxy-2,5-dihydrofuran-5-one; 3-hydroxy-4,5-dimethyl-2(5H)-furanone (sotolon); 4,5-dimethyl-3-hydroxy-2-(5H)-furanone (sotolon); 3-hydroxy-4,5-dimethylfuran-2( 5H)-one (sotolon); 4,5-dimethyl-3-hydroxy-2,5-dihydrofuran-2-one (sotolon)
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Van Den Dool and Kratz 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 | DB-5 | SE-54 | DB-5 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 40C(2min) => 6C/min => 150C => 20C/min => 230C | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) | 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C | 40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min) |
I | 1110. | 1112. | 1131. | 1122. | 1110. |
Reference | Escudero, Campo, et al., 2007 | Schuh and Schieberle, 2006 | Klesk and Qian, 2003 | Jezussek, Juliano, et al., 2002 | Munk, Munch, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SE-54 | SE-54 | SE-54 | SE-54 |
Column length (m) | 30. | 30. | 25. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
Program | 40C(2min) => 40C/min => 50C (1min) => 6C/min => 180C => 10C/min => 240C (5min) | 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min) | 35C (2min) => 4C/min => 150C => 10C/min => 240C | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10 min) | 35C(2min) => 40C/min => 50C(5min) => 6C/min => 230C(15min) |
I | 1110. | 1104. | 1100. | 1110. | 1112. |
Reference | Munk, Munch, et al., 2000 | Zimmermann and Schieberle, 2000 | Fickert and Schieberle, 1998 | Hinterholzer, Lemos, et al., 1998 | Hofmann and Schieberle, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | SE-54 | SE-54 | SE-54 | SE-54 |
Column length (m) | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40C (2min) => 40C/min => 50C (5min) => 6C/min => 230C (15min) | 40C (2min) => 40C/min => 50C (5min) => 6C/min => 230C (15min) | 40C (2min) => 40C/min => 50C (2min) => 240C (10min) | 40C (2min) => 40C/min => 50C (5min) => 6C/min => 230C (15min) |
I | 1112. | 1112. | 1082. | 1112. |
Reference | Hofmann and Schieberle, 1997 | Hofmann and Schieberle, 1997 | Münch, Hofmann, et al., 1997 | Hofmann and Schieberle, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Escudero, Campo, et al., 2007
Escudero, A.; Campo, E.; Fariña, L.; Cacho, J.; Ferreira, V.,
Analytical Characterization of the Aroma of Five Premium Red Wines. Insights into the Role of Odor Families and the Concept of Fruitiness of Wines,
J. Agric. Food Chem., 2007, 55, 11, 4501-4510, https://doi.org/10.1021/jf0636418
. [all data]
Schuh and Schieberle, 2006
Schuh, C.; Schieberle, P.,
Characterization of the Key Aroma Compounds in the Beverage Prepared from Darjeeling Black Tea: Quantitative Differences between Tea Leaves and Infusion,
J. Agric. Food Chem., 2006, 54, 3, 916-924, https://doi.org/10.1021/jf052495n
. [all data]
Klesk and Qian, 2003
Klesk, K.; Qian, M.,
Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries,
J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209
. [all data]
Jezussek, Juliano, et al., 2002
Jezussek, M.; Juliano, B.O.; Schieberle, P.,
Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis,
J. Agric. Food Chem., 2002, 50, 5, 1101-1105, https://doi.org/10.1021/jf0108720
. [all data]
Munk, Munch, et al., 2000
Munk, S.; Munch, P.; Stahnke, L.; Adler-Nissen., J.; Schieberle, P.,
Primary odorants of laundry soiled with sweat/sebum: influence of lipase on the odor profile,
Journal of Surfactants and Detergents, 2000, 3, 4, 505-515, https://doi.org/10.1007/s11743-000-0150-z
. [all data]
Zimmermann and Schieberle, 2000
Zimmermann, M.; Schieberle, P.,
Important odorants of sweet bell pepper powder (Capsicum annuum cv. annuum): differences between samples of Hungarian and Morrocan origin,
Eur. Food Res. Technol., 2000, 211, 3, 175-180, https://doi.org/10.1007/s002170050019
. [all data]
Fickert and Schieberle, 1998
Fickert, B.; Schieberle, P.,
Identification of the key odorants in barley malt (caramalt) using GC/MS techniques and odour dilution analyses,
Nahrung, 1998, 42, 6, 371-375, https://doi.org/10.1002/(SICI)1521-3803(199812)42:06<371::AID-FOOD371>3.0.CO;2-V
. [all data]
Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P.,
Identification of the key odorants in raw French beans and changes during cooking,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322
. [all data]
Hofmann and Schieberle, 1998
Hofmann, T.; Schieberle, P.,
Identification of key aroma compounds generated from cysteine and carbohydrates under roasting conditions,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 229-236, https://doi.org/10.1007/s002170050324
. [all data]
Hofmann and Schieberle, 1997
Hofmann, T.; Schieberle, P.,
Identification of potent aroma compounds in thermally treated mixtures of glucose/cysteine and rhamnose/cysteine using aroma extract dilution techniques,
J. Agric. Food Chem., 1997, 45, 3, 898-906, https://doi.org/10.1021/jf960456t
. [all data]
Münch, Hofmann, et al., 1997
Münch, P.; Hofmann, T.; Schieberle, P.,
Comparison of key odorants generated by thermal treatment of commercial and self-prepared yeast extracts: influence of the amino acid composition on odorant formation,
J. Agric. Food Chem., 1997, 45, 4, 1338-1344, https://doi.org/10.1021/jf960658p
. [all data]
Hofmann and Schieberle, 1995
Hofmann, T.; Schieberle, P.,
Evaluation of the key odorants in a thermally treated solution of ribose and cysteine by aroma extract dilution techniques,
J. Agric. Food Chem., 1995, 43, 8, 2187-2194, https://doi.org/10.1021/jf00056a042
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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