CH3C(O)OCH(CH3)C(O)CH3
- Formula: C6H10O3
- Molecular weight: 130.1418
- IUPAC Standard InChI: InChI=1S/C6H10O3/c1-4(7)5(2)9-6(3)8/h5H,1-3H3
- IUPAC Standard InChIKey: ZKPTYCJWRHHBOW-UHFFFAOYSA-N
- CAS Registry Number: 4906-24-5
- 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. - Species with the same structure:
- Other names: 2-Acetoxy-3-butanone; 3-acetoxy-2-butanone; 2-Butanon-3-ol, acetate; 3-(acetyloxy)-2-butanone; 2-Ketobutan-3-yl acetate; 3-Hydroxy-2-butanone, acetate; 3-oxo-2-butyl acetate; 2-Butanone, 3-(acetyloxy)-; Acetoin Acetate; 3-oxobutan-2-yl acetate
- Information on this page:
- Other data available:
- Options:
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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax Etr | DB-FFAP | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | H2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 40. | 40. | 50. | 50. |
| Tend (C) | 250. | 240. | 200. | 250. | 250. |
| Heat rate (K/min) | 5. | 5. | 2. | 4. | 4. |
| Initial hold (min) | 3. | 2. | 10. | 3. | 3. |
| Final hold (min) | 15. | ||||
| I | 1389. | 1389. | 1377. | 1358. | 1361. |
| Reference | Aubert C. and Pitrat M., 2006 | Charles, Martin, et al., 2000 | Umano, Hagi, et al., 1992 | Fröhlich, Duque, et al., 1989 | Fröhlich, Duque, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | 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.
Aubert C. and Pitrat M., 2006
Aubert C.; Pitrat M.,
Volatile compounds in the skin and pulp of Queen Anne's pocket melon,
J. Agric. Food Chem., 2006, 54, 21, 8177-8182, https://doi.org/10.1021/jf061415s
. [all data]
Charles, Martin, et al., 2000
Charles, M.; Martin, B.; Ginies, C.; Etievant, P.; Coste, G.; Guichard, E.,
Potent aroma compounds of two red wine vinegars,
J. Agric. Food Chem., 2000, 48, 1, 70-77, https://doi.org/10.1021/jf9905424
. [all data]
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]
Fröhlich, Duque, et al., 1989
Fröhlich, O.; Duque, C.; Schreier, P.,
Volatile constituents of curuba (Passiflora mollissima) fruit,
J. Agric. Food Chem., 1989, 37, 2, 421-425, https://doi.org/10.1021/jf00086a033
. [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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