2,3-Butanediol, diacetate, rac
- Formula: C8H14O4
- Molecular weight: 174.1944
- IUPAC Standard InChI: InChI=1S/C8H14O4/c1-5(11-7(3)9)6(2)12-8(4)10/h5-6H,1-4H3/t5-,6-/m1/s1
- IUPAC Standard InChIKey: VVSAAKSQXNXBML-PHDIDXHHSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: threo-butane-2,3-diol diacetate
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Gas Chromatography
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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
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1521. | Umano, Hagi, et al., 1992 | He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1054. | Zenkevich, 2003 | Nitrogen, 60. C @ 0. min, 6. K/min, 200. C @ 0. min; Column length: 25. m; Column diameter: 0.25 mm |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.),
J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014
. [all data]
Zenkevich, 2003
Zenkevich, I.G. Kostikov,
Prediction of the Gas Chromatographic Elution Order of Diastereomers and Enantiomers using Molecular Dynamics Methods,
Zh. Org. Khim. (Rus.), 2003, 39, 8, 1127-1134. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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