2(5H)-Furanone, 3-hydroxy-4,5-dimethyl-
- Formula: C6H8O3
- Molecular weight: 128.1259
- IUPAC Standard InChI: InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3
- 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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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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 | SE-54 | 5 % Phenyl methyl siloxane | DB-5 | DB-5 | DB-5 |
| 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 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 0. | 50. | 40. | 40. | 40. |
| Tend (C) | 200. | 250. | 230. | 230. | 230. |
| Heat rate (K/min) | 6. | 3. | 6. | 6. | 6. |
| Initial hold (min) | 2. | 1. | 2. | 2. | |
| Final hold (min) | 10. | 10. | |||
| I | 1109. | 1115. | 1116. | 1110. | 1110. |
| Reference | Laselan, Buettner, et al., 2009 | Zellner, Bicchi, et al., 2008 | Zeller and Rychlik, 2007 | Czerny and Schieberle, 2002 | Czerny and Schieberle, 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-5 | DB-5 | DB-5MS | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 35. | 40. | 40. |
| Tend (C) | 210. | 230. | 275. | 195. | 230. |
| Heat rate (K/min) | 5. | 6. | 6. | 5. | 6. |
| Initial hold (min) | 2. | 5. | 2. | ||
| Final hold (min) | 5. | 40. | 5. | ||
| I | 1079. | 1127. | 1095. | 1107. | 1109. |
| Reference | Kumazawa and Masuda, 2002 | Sanz, Czerny, et al., 2002 | Rouseff, Jella, et al., 2001 | Suriyaphan, Drake, et al., 2001 | Czerny and Grosch, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-5 | BP-5 | OV-101 | OV-101 |
| Column length (m) | 30. | 50. | 12. | 12. |
| Carrier gas | H2 | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.5 | 1. | ||
| Tstart (C) | 60. | 40. | 35. | 35. |
| Tend (C) | 245. | 190. | 225. | 225. |
| Heat rate (K/min) | 3. | 2. | 6. | 6. |
| Initial hold (min) | 3. | 5. | 3. | 3. |
| Final hold (min) | 20. | |||
| I | 1081. | 1124. | 1063. | 1065. |
| Reference | Kotseridis and Baumes, 2000 | Lopez, Ferreira, et al., 1999 | Roberts and Acree, 1996 | Roberts and Acree, 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Laselan, Buettner, et al., 2009
Laselan, P.; Buettner, A.; Christlbauer, M.,
Investigation of the retronasal perseption of palm wine (Elaeis guineensis) aroma by application of sensory analysis and exhaled odorant measurement (EXOM),
African J. of Food, Agriculture, Nutrition and development, 2009, 9, 2, 793-813. [all data]
Zellner, Bicchi, et al., 2008
Zellner, B.d'A.; Bicchi, C.; Dugo, P.; Rubiolo, P.; Dugo, G.; Mondello, L.,
Linear retention indices in gas chromatographic analysis: a review,
Flavour Fragrance J., 2008, 23, 5, 297-314, https://doi.org/10.1002/ffj.1887
. [all data]
Zeller and Rychlik, 2007
Zeller, A.; Rychlik, M.,
Impact of estragole and other odorants on the flavour of anise and tarragon,
Flavour Fragr. J., 2007, 22, 2, 105-113, https://doi.org/10.1002/ffj.1765
. [all data]
Czerny and Schieberle, 2002
Czerny, M.; Schieberle, P.,
Important aroma compounds in freshly ground wholemeal and white wheat flour-identification and quantitative changes during sourdough fermentation,
J. Agric. Food Chem., 2002, 50, 23, 6835-6840, https://doi.org/10.1021/jf020638p
. [all data]
Kumazawa and Masuda, 2002
Kumazawa, K.; Masuda, H.,
Identification of potent odorants in different green tea varieties using flavor dilution technique,
J. Agric. Food Chem., 2002, 50, 20, 5660-5663, https://doi.org/10.1021/jf020498j
. [all data]
Sanz, Czerny, et al., 2002
Sanz, C.; Czerny, M.; Cid, C.; Schieberle, P.,
Comparison of potent odorants in a filtered coffee brew and in an instant coffee beverage by aroma extract dilution analysis (AEDA),
Eur. Food Res. Technol., 2002, 214, 4, 299-302, https://doi.org/10.1007/s00217-001-0459-9
. [all data]
Rouseff, Jella, et al., 2001
Rouseff, R.; Jella, P.; Bazemore, R.; Yang, J.-J.,
Aroma active internal standards for gas chromatography-olfactometry of grapefruit juices,
Am. Chem. Soc. Symp. Ser., 2001, 782, 73-87. [all data]
Suriyaphan, Drake, et al., 2001
Suriyaphan, O.; Drake, M.; Chen, X.Q.; Cadwallader, K.R.,
Characteristic aroma components of British farmhouse cheddar cheese,
J. Agric. Food Chem., 2001, 49, 3, 1382-1387, https://doi.org/10.1021/jf001121l
. [all data]
Czerny and Grosch, 2000
Czerny, M.; Grosch, W.,
Potent odorants of raw Arabica coffee. Their changes during roasting,
J. Agric. Food Chem., 2000, 48, 3, 868-872, https://doi.org/10.1021/jf990609n
. [all data]
Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R.,
Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine,
J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i
. [all data]
Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F.,
Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study,
J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K
. [all data]
Roberts and Acree, 1996
Roberts, D.D.; Acree, T.E.,
Effects of heating and cream addition on fresh raspberry aroma using a retronasal aroma simulator and gas chromatography olfactometry,
J. Agric. Food Chem., 1996, 44, 12, 3919-3925, https://doi.org/10.1021/jf950701t
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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