Wine lactone
- Formula: C10H14O2
- Molecular weight: 166.2170
- IUPAC Standard InChI: InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3/t7-,8-,9-/m1/s1
- IUPAC Standard InChIKey: NQWBFQXRASPNLB-IWSPIJDZSA-N
- CAS Registry Number: 182699-77-0
- 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:
- 3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3H)-benzofuranone
- Wine lactone, (3R, 3aR, 7aR)
- Wine lactone, (3R, 3aR, 7aS)
- Wine lactone, (3R, 3aS, 7aR)
- Wine lactone, (3R, 3aS, 7aS)
- Wine lactone, (3S, 3aR, 7aR)
- Wine lactone, (3S, 3aR, 7aS)
- Wine lactone, (3S, 3aS, 7aS)
- 2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-
- Other names: wine lactone (3a,4,5,7a-Tetrahydro-3,6-dimethyl-2(3H)-benzofuranone); Wine lactone, (3S, 3aS, 7aR); 3,4,5,7a-tetrahydro-3,6-dimethyl-2(3 H)-benzofuranone (wine lactone); 3a,4,5,7a-Tetrahydro-3,6-dimethyl-2(3H)-benzofuranon (wine lactone)
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- Information on this page:
- Other data available:
- Options:
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 |
|---|---|---|---|
| Active phase | SE-54 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 20. |
| Carrier gas | |||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | |
| Program | 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min) | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | not specified |
| I | 1456. | 1455. | 1455. |
| Reference | Buettner, Mestres, et al., 2003 | Guth, 1997 | Guth, 1996 |
| Comment | 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.
Buettner, Mestres, et al., 2003
Buettner, A.; Mestres, M.; Fischer, A.; Guasch, J.; Schieberle, P.,
Evaluation of the most odour-active compounds in the peel oil of clementines ( citrus reticulata blanco cv. clementine),
Eur. Food Res. Technol., 2003, 216, 11-14. [all data]
Guth, 1997
Guth, H.,
Identification of character impact odorants of different white wine varieties,
J. Agric. Food Chem., 1997, 45, 8, 3022-3026, https://doi.org/10.1021/jf9608433
. [all data]
Guth, 1996
Guth, H.,
131. Determination of the configuration of wine lactone,
Helv. Chim. Acta, 1996, 79, 6, 1559-1571, https://doi.org/10.1002/hlca.19960790606
. [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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