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, 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 | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | ZB-5 | SLB-5MS | HP-5MS | SPB-5 | DB-1 |
| Column length (m) | 30. | 10. | 30. | 60. | 60. |
| Carrier gas | Helium | Helium | He | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.18 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.18 | 0.25 | 1.0 | 1. |
| Tstart (C) | 40. | 40. | 50. | 30. | 40. |
| Tend (C) | 280. | 295. | 280. | 230. | 260. |
| Heat rate (K/min) | 6. | 10. | 5. | 3. | 2. |
| Initial hold (min) | 1. | 1.5 | 4. | ||
| Final hold (min) | 9. | 10. | |||
| I | 869. | 882. | 876. | 861. | 838. |
| Reference | Harrison and Priest, 2009 | Risticevic, Carasek, et al., 2008 | Kim, Abd El-Aty, et al., 2006 | Sebastian, Viallon-Fernandez, et al., 2003 | Chen and Ho, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | DB-1 |
| Column length (m) | 60. | 60. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | 1.0 | 1.0 |
| Tstart (C) | 40. | 40. |
| Tend (C) | 260. | 280. |
| Heat rate (K/min) | 2. | 2. |
| Initial hold (min) | ||
| Final hold (min) | ||
| I | 836. | 826. |
| Reference | Chen and Ho, 1998 | Tai and Ho, 1998 |
| Comment | MSDC-RI | 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.
Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G.,
Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth,
J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y
. [all data]
Risticevic, Carasek, et al., 2008
Risticevic, S.; Carasek, E.; Pawliszyn, J.,
Headspace solid-phase microextraction-gas chromatographic-time-of-flight mass spectrometric methodology for geographical origin verification of coffee,
Anal. Chim. Acta, 2008, 617, 1-2, 72-84, https://doi.org/10.1016/j.aca.2008.04.009
. [all data]
Kim, Abd El-Aty, et al., 2006
Kim, M.R.; Abd El-Aty, A.M.; Kim, I.S.; Shim, J.H.,
Determination of volatile flavor components in danggui cultivars by solvent free injection and hydrodistillation followed by gas chromatographic-mass spectrometric analysis,
J. Chromatogr. A, 2006, 1116, 1-2, 259-264, https://doi.org/10.1016/j.chroma.2006.03.060
. [all data]
Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L.,
Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding,
Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511
. [all data]
Chen and Ho, 1999
Chen, J.; Ho, C.-T.,
Comparison of volatile generation in serine/threonine/glutamine-ribose/glucose/fructose model systems,
J. Agric. Food Chem., 1999, 47, 2, 643-647, https://doi.org/10.1021/jf980771a
. [all data]
Chen and Ho, 1998
Chen, J.; Ho, C.-T.,
Volatile compounds generated in serine-monosaccharide model systems,
J. Agric. Food Chem., 1998, 46, 4, 1518-1522, https://doi.org/10.1021/jf970934f
. [all data]
Tai and Ho, 1998
Tai, C.-Y.; Ho, C.-T.,
Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds,
J. Agric. Food Chem., 1998, 46, 6, 2260-2265, https://doi.org/10.1021/jf971111t
. [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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