1-Penten-3-one
- Formula: C5H8O
- Molecular weight: 84.1164
- 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, 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 | SOLGel-Wax | SOLGel-Wax | DB-Wax | Supelko CO Wax | Supelko CO Wax |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.50 | 0.25 | 0.25 |
Program | 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min) | not specified |
I | 1024. | 1024. | 1057. | 1008. | 1016. |
Reference | Johanningsmeier and McFeeters, 2011 | Johanningsmeier and McFeeters, 2011 | Miyazaki, Plotto, et al., 2011 | Vekiari, Orepoulou, et al., 2010 | Vekiari, Orepoulou, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52 CB | HP-FFAP | HP-Innowax | HP-Innowax | HP-Innowax |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | 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 | 0.25 |
Program | 45 0C (5 min) 3 0C/min -> 150 0C 10 0C/min -> 240 0C | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) | 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min) | 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min) | 30C(5min) => 7C/min => 100C(5min) => 1C/min => 130C => 10C/min => 195C(45min) |
I | 1024. | 1034. | 1014. | 1015. | 1017. |
Reference | Romeo, Verzera, et al., 2009 | Carrapiso and Garsia, 2007 | Narain, Galvao, et al., 2007 | Narain, Galvao, et al., 2007, 2 | Narain, Galvao, et al., 2007, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | DB-Wax | DB-Wax | DB-Wax | FFAP |
Column length (m) | 50. | 60. | 60. | 30. | 25. |
Carrier gas | H2 | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.5 | 0.3 |
Program | 25C(7min) => 0.8C/min => 33C => 2.4C/min => 80C => 3.7C/min => 155C (20min) | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C | 50C(6min) => 1C/min => 130C => 10C/min => 240C (15min) | 50C(5min) => 1C/min => 80C => 10C/min => 250C | 35C (2min) => 40C/min => 60C(1min) => 6C/min => 230C |
I | 1018. | 1016. | 1026. | 1018. | 1015. |
Reference | Dhifi, Angerosa, et al., 2005 | Kim. J.H., Ahn, et al., 2004 | Piveteau, le Guen, et al., 2000 | Piveteau, le Guen, et al., 2000 | Reiners and Grosch, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax 10 | Supelcowax 10 | CP-Wax 52CB | CP-Wax 52CB | CP-Wax 52CB |
Column length (m) | 60. | 60. | 50. | 50. | |
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 1.5 | 1.5 | |
Program | 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) | not specified | 40C => 2C/min => 150C => 10C/min => 250C | 40C => 2C/min => 150C => 10C/min => 250C | 40C => 2C/min => 150C => 10C/min => 250C |
I | 1017. | 1025. | 1008. | 1009. | 1009. |
Reference | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 | Luning, Carey, et al., 1995 | Luning, de Rijk, et al., 1994 | Luning, de Rijk, et al., 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-Wax |
Column length (m) | 60. |
Carrier gas | |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | |
Program | not specified |
I | 1018. |
Reference | Binder, Flath, et al., 1989 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F.,
Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS),
J. Food Sci., 2011, 76, 1, c168-c177, https://doi.org/10.1111/j.1750-3841.2010.01918.x
. [all data]
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]
Vekiari, Orepoulou, et al., 2010
Vekiari, S.A.; Orepoulou, V.; Kourkoutas, Y.; Kamoun, N.; Msallem, M.; Psimouli, V.; Arapoglou, D.,
Characterization and seasonal variations of the quality of virgin olive oil of the Thoumbolia and Koroneiki varieties from Southern Greece,
Grasas y Aceites, 2010, 61, 3, 221-231, https://doi.org/10.3989/gya.108709
. [all data]
Romeo, Verzera, et al., 2009
Romeo, V.; Verzera, A.; Ziino, M.; Condurao, C.; Tripodi, G.,
Headspace volatiles of Vicia sativa L. (Legumnodeae) by solid-phase microextraction and gas chromatography/mass spectrometry,
J. Ess. Oil Res., 2009, 21, 1, 33-35, https://doi.org/10.1080/10412905.2009.9700101
. [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]
Narain, Galvao, et al., 2007
Narain, N.; Galvao, M. deS.; Ferreira, D.DaS.; Navarro, D.M.A.F.,
Flavor biogeneration in Mangaba (Hancornia speciosa Gomes) fruit,
BioEng. Campinas, 2007, 1, 1, 25-31. [all data]
Narain, Galvao, et al., 2007, 2
Narain, N.; Galvao, M.S.; Madruga, M.S.,
Volatile compounds captured through purge and trap technique in caja-umbu (Spondias sp.) fruits during maturation,
Food Chem., 2007, 102, 3, 726-731, https://doi.org/10.1016/j.foodchem.2006.06.003
. [all data]
Dhifi, Angerosa, et al., 2005
Dhifi, W.; Angerosa, F.; Serraiocco, A.; Oumar, I.; Hamrouni, I.; Marzouk, B.,
Virgin olive oil aroma: Characterization of some Tunisian cultivars,
Food Chem., 2005, 93, 4, 697-701, https://doi.org/10.1016/j.foodchem.2004.12.036
. [all data]
Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W.,
Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6
. [all data]
Piveteau, le Guen, et al., 2000
Piveteau, F.; le Guen, S.; Gandemer, G.; Baud, J.-P.; Demaimay, M.,
Aroma of fresh oysters Crassostrea gigas: composition and aroma notes,
J. Agric. Food Chem., 2000, 48, 10, 4851-4857, https://doi.org/10.1021/jf991394k
. [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]
Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I.,
Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS,
Scientia Pharmaceutica, 1996, 64, 83-91. [all data]
Luning, Carey, et al., 1995
Luning, P.A.; Carey, A.T.; Roozen, J.P.; Wichers, H.J.,
Characterization and occurrence of lipoxygenase in bell peppers at different ripening stages in relation to the formation of volatile flavor compounds,
J. Agric. Food Chem., 1995, 43, 6, 1493-1500, https://doi.org/10.1021/jf00054a015
. [all data]
Luning, de Rijk, et al., 1994
Luning, P.A.; de Rijk, T.; Wichers, H.J.; Roozen, J.P.,
Gas chromatography, mass spectrometry, and sniffing port analyses of volatile compounds of fresh bell peppers (Capsicum annuum) at different ripening stages,
J. Agric. Food Chem., 1994, 42, 4, 977-983, https://doi.org/10.1021/jf00040a027
. [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]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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