1-Penten-3-one
- Formula: C5H8O
- Molecular weight: 84.1164
- IUPAC Standard InChI: InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3
- IUPAC Standard InChIKey: JLIDVCMBCGBIEY-UHFFFAOYSA-N
- CAS Registry Number: 1629-58-9
- 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. - Other names: Ethyl vinyl ketone; C2H5COCH=CH2; Vinyl ethyl ketone; Ketone, ethyl vinyl; 1-Pentene-3-one; Pent-1-en-3-one; 1-penten-3-one (ethyl vinyl ketone); penten-3-one
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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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-1 | HP-5 | HP-5 | DB-5 |
| Column length (m) | 60. | 60. | 50. | 30. | 30. |
| Carrier gas | Helium | Helium | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 1.00 | 0.25 | 1.05 | 0.25 | 0.25 |
| Program | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) | 40C (6min) => 2.5C/min => 150C => 90C/min => 250C | 35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C |
| I | 676. | 657. | 678. | 680. | 683. |
| Reference | Miyazaki, Plotto, et al., 2011 | Delort and Jaquier, 2009 | Carrapiso and Garsia, 2007 | Jordán, Margaría, et al., 2002 | Matsui, Guth, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | SE-54 | DB-1 | SF96+Igepal |
| Column length (m) | 30. | 60. | 152. |
| Carrier gas | |||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | 0.76 |
| Phase thickness (μm) | 0.25 | ||
| Program | 35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C | not specified | 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
| I | 682. | 658. | 676. |
| Reference | Reiners and Grosch, 1998 | Binder, Flath, et al., 1989 | Flath, Altieri, et al., 1984 |
| 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.
Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
. [all data]
Delort and Jaquier, 2009
Delort, E.; Jaquier, A.,
Novel terpenyl esters from Australian finger lime (Citrus australasica) peel extract,
Flav. Fragr. J., 2009, 24, 3, 123-132, https://doi.org/10.1002/ffj.1922
. [all data]
Carrapiso and Garsia, 2007
Carrapiso, A.I.; Garsia, C.,
Effect of sampling conditions on the odour-active compounds of iberian ham,
Cienc. Technol. Aliment., 2007, 5, 4, 287-290, https://doi.org/10.1080/11358120709487703
. [all data]
Jordán, Margaría, et al., 2002
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L.,
Aroma active components in aqueous kiwi fruit essence and kiwi fruit puree by GC-MS and multidimensional GC/GC-O,
J. Agric. Food Chem., 2002, 50, 19, 5386-5390, https://doi.org/10.1021/jf020297f
. [all data]
Matsui, Guth, et al., 1998
Matsui, T.; Guth, H.; Grosch, W.,
A comparative study of potent odorants in peanut, hazelnut, and pumpkin seed oils on the basis of aroma extract dilution analysis (AEDA) and gas chromatography-olfactometry of headspace samples (GCOH),
Lipid - Fett, 1998, 100, 2, 51-56, https://doi.org/10.1002/(SICI)1521-4133(199802)100:2<51::AID-LIPI51>3.0.CO;2-W
. [all data]
Reiners and Grosch, 1998
Reiners, J.; Grosch, W.,
Odorants of virgin olive oils with different flavor profiles,
J. Agric. Food Chem., 1998, 46, 7, 2754-2763, https://doi.org/10.1021/jf970940b
. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [all data]
Flath, Altieri, et al., 1984
Flath, R.A.; Altieri, M.A.; Mon, T.R.,
Volatile constituents of Amaranthus retroflexus L.,
J. Agric. Food Chem., 1984, 32, 1, 92-94, https://doi.org/10.1021/jf00121a024
. [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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