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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- Other data available:
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Van Den Dool and Kratz RI, 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 |
|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | Helium | He | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.50 | 0.5 | 0.50 |
| Tstart (C) | 40. | 40. | 40. |
| Tend (C) | 240. | 240. | 240. |
| Heat rate (K/min) | 7. | 7. | 7. |
| Initial hold (min) | |||
| Final hold (min) | 5. | 5. | 5. |
| I | 2259. | 2263. | 2264. |
| Reference | Bell, 2004 | Högnadóttir and Rouseff, 2003 | Lin and Rouseff, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Bell, 2004
Bell, W.A.-M.,
Examination of Aroma Volatiles Formed from Thermal Processing of Florida Reconstituted Grapefruit Juice. A Thesis presented to the graduate school of the university of Florida in partial fulfillment of the requirements for the degree of master of science, 2004. [all data]
Högnadóttir and Rouseff, 2003
Högnadóttir, Á.; Rouseff, R.L.,
Identification of aroma active compounds in organce essence oil using gas chromatography-olfactometry and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2003, 998, 1-2, 201-211, https://doi.org/10.1016/S0021-9673(03)00524-7
. [all data]
Lin and Rouseff, 2001
Lin, J.; Rouseff, R.L.,
Characterization of aroma-impact compounds in cold-pressed grapefruit oil using time-intensity GC-olfactometry and GC-MS,
Flavour Fragr. J., 2001, 16, 6, 457-463, https://doi.org/10.1002/ffj.1041
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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