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, 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 | FFAP | DB-FFAP | FFAP |
| 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 => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | not specified |
| I | 2203. | 2192. | 2192. |
| Reference | Buettner, Mestres, et al., 2003 | Guth, 1997 | Guth, 1996 |
| 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.
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, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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