3-Penten-2-one
- Formula: C5H8O
- Molecular weight: 84.1164
- IUPAC Standard InChI: InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3
- IUPAC Standard InChIKey: LABTWGUMFABVFG-UHFFFAOYSA-N
- CAS Registry Number: 625-33-2
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Ethylidene acetone; Methyl propenyl ketone; Methyl 1-propenyl ketone; 2-Oxo-3-pentene; (E)-CH3CH=CHC(=O)CH3; 3-Pentene-2-one; Pent-3-en-2-one
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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 | HP-5 | DB-5 | OV-101 | HP-5 | DB-1 |
| Column length (m) | 30. | 60. | 50. | 30. | |
| Carrier gas | He | He | Nitrogen | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 1. | 0.25 | ||
| Tstart (C) | 35. | 40. | 40. | 35. | 50. |
| Tend (C) | 200. | 200. | 200. | 200. | 240. |
| Heat rate (K/min) | 3. | 3. | 2. | 6. | 5. |
| Initial hold (min) | 5. | 5. | 10. | 2. | 3. |
| Final hold (min) | |||||
| I | 731. | 721. | 711. | 735. | 707. |
| Reference | Isidorov, Purzynska, et al., 2006 | Joffraud, Leroi, et al., 2001 | Tamura, Boonbumrung, et al., 2000 | Larsen and Frisvad, 1995 | Shiota, 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | DB-1 | OV-101 |
| Column length (m) | 30. | 60. | 50. | 50. | |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.31 | |
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 50. | 50. | 50. | 0. | 0. |
| Tend (C) | 240. | 230. | 230. | 250. | 225. |
| Heat rate (K/min) | 5. | 4. | 4. | 3. | 3. |
| Initial hold (min) | 3. | 1. | |||
| Final hold (min) | 10. | 10. | |||
| I | 710. | 711. | 711. | 713. | 717. |
| Reference | Shiota, 1993 | Binder, Benson, et al., 1990 | Binder, Turner, et al., 1990 | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Isidorov, Purzynska, et al., 2006
Isidorov, V.; Purzynska, A.; Modzelewska, A.; Serowiecka, M.,
Distribution coefficients of aliphatic alcohols, carbonyl compounds and esters between air and Carboxen/polydimethylsiloxane fiber coating,
Anal. Chim. Acta., 2006, 560, 1-2, 103-109, https://doi.org/10.1016/j.aca.2005.12.043
. [all data]
Joffraud, Leroi, et al., 2001
Joffraud, J.J.; Leroi, F.; Roy, C.; Berdagué, J.L.,
Characterisation of volatile compounds produced by bacteria isolated from the spoilage flora of cold-smoked salmon,
Int. J. Food Microbiol., 2001, 66, 3, 175-184, https://doi.org/10.1016/S0168-1605(00)00532-8
. [all data]
Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
. [all data]
Larsen and Frisvad, 1995
Larsen, T.O.; Frisvad, J.C.,
Characterization of volatile metabolites from 47 Penicillium taxa,
Mycol. Res., 1995, 99, 10, 1153-1166, https://doi.org/10.1016/S0953-7562(09)80271-2
. [all data]
Shiota, 1993
Shiota, H.,
New esteric components in the volatiles of banana fruit (Musa sapientum L.),
J. Agric. Food Chem., 1993, 41, 11, 2056-2062, https://doi.org/10.1021/jf00035a046
. [all data]
Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A.,
Volatile Components of Safflower,
J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020
. [all data]
Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A.,
Volatile components of purple starthistle,
J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030
. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [all data]
del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R.,
Comparison of headspace volatiles from winged beans and soybeans,
J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015
. [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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