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, polar column, custom temperature program

Go To: Top, References, Notes

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

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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