2-Propanone, 1-(acetyloxy)-
- Formula: C5H8O3
- Molecular weight: 116.1152
- IUPAC Standard InChI: InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3
- IUPAC Standard InChIKey: DBERHVIZRVGDFO-UHFFFAOYSA-N
- CAS Registry Number: 592-20-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 2-Propanone, 1-hydroxy-, acetate; Acetol acetate; Acetonyl acetate; Acetoxyacetone; Acetoxypropanone; Acetylmethyl acetate; O-Acetylacetol; 1-Acetoxy-2-propanone; 1-Acetoxyacetone; 1-Hydroxy-2-propanone acetate; 2-Oxopropyl acetate; 1-(Acetyloxy)-2-propanone; 1-Acetoxy-propan-2-one; 1-Acetyloxy-propan-2-one; Acetoxy-2-propanone; NSC 2298; NSC 7614; Hydroxyacetone, acetate
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Normal alkane RI, non-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 | ZB-5 | DB-5 MS | HP-1 |
| Column length (m) | 30. | 30. | 50. |
| Carrier gas | Helium | Helium | N2 |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.52 |
| Program | 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) | 40C => 2C/min => 130C => 4C/min => 250C |
| I | 870. | 870. | 821. |
| Reference | de Simon, Estruelas, et al., 2009 | Cajka, Hajslova, et al., 2007 | Teai, Claude-Lafontaine, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M.,
Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage,
J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h
. [all data]
Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E.,
Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles,
J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413
. [all data]
Teai, Claude-Lafontaine, et al., 2001
Teai, T.; Claude-Lafontaine, A.; Schippa, C.; Cozzolino, F.,
Volatile compounds in fresh pulp of pineapple (Ananas comosus [L.] Merr.) from French Polynesia,
J. Essent. Oil Res., 2001, 13, 5, 314-318, https://doi.org/10.1080/10412905.2001.9712222
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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