trans-Wiskey lactone
- Formula: C9H16O2
- Molecular weight: 156.2221
- IUPAC Standard InChI: InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
- IUPAC Standard InChIKey: WNVCMFHPRIBNCW-SFYZADRCSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- 2(3H)-Furanone, 5-butyldihydro-4-methyl-
- trans-3-Methyl-4-octanolide
- 2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
- cis-Wiskey lactone
- cis-Whisky lactone
- cis-β-Methyl-γ-octalactone
- trans-β-Methyl-γ-octalactone
- β-Methyl-γ-octalactone
- (Z)-Whisky lactone
- Whiskey lactone (5-Butyl-4-methyloxolan-2-one)
- trans-4-hydroxy-3-methyloctanoic acid lactone
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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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 |
|---|---|
| Active phase | PS-255 |
| Column length (m) | 30. |
| Carrier gas | Hydrogen |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 50. |
| Tend (C) | 240. |
| Heat rate (K/min) | 4. |
| Initial hold (min) | 5. |
| Final hold (min) | 25. |
| I | 1258. |
| Reference | Schmarr, Eisenreich, et al., 2001 |
| Comment | 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.
Schmarr, Eisenreich, et al., 2001
Schmarr, H.-G.; Eisenreich, W.; Engel, K.-H.,
Synthesis and analysis of thio-, thiono- and dithiopderivatives of Whiskey Lactone,
J. Agric. Food Chem., 2001, 49, 12, 5923-5928, https://doi.org/10.1021/jf0107961
. [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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