2-Pentenal, (E)-

Formula: C₅H₈O
Molecular weight: 84.1164
IUPAC Standard InChI: InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
IUPAC Standard InChIKey: DTCCTIQRPGSLPT-ONEGZZNKSA-N
CAS Registry Number: 1576-87-0
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.
Species with the same structure:
- (E)-2-Pentenal
Stereoisomers:
Other names: trans-2-Pentenal; trans-2-Penten-1-al; 2-(E)-Pentenal; (E)-2-Pentenal; (E)-Pent-2-enal; trans-Pent-2-enal; (E)-pent-2-en-1-al
Information on this page:
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Normal alkane RI, non-polar column, custom temperature program

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-1	HP-5 MS	HP-5 MS	DB-5 MS	HP-5
Column length (m)	60.	30.	30.	60.
Carrier gas	Helium	Helium	Helium	Helium	He
Substrate
Column diameter (mm)	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	1.0
Program	50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)	40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C	40 0C (2 min) 4 0C/min -> 220 0C 20 0C/min -> 280 0C	40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)	50C => 3C/min => 200C(10min) => 10C/min => 290C(10min)
I	728.	746.	750.	759.	755.
Reference	Delort and Jaquier, 2009	Xie, Sun, et al., 2008	Xie, Sun, et al., 2008	Liu, Xu, et al., 2007	Splivallo, Bossi, et al., 2007
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	5 % Phenyl methyl siloxane	BPX-5	HP-5	HP-5	DB-1
Column length (m)	30.	60.	30.	30.	60.
Carrier gas		He
Substrate
Column diameter (mm)	0.25	0.32	0.25	0.25	0.32
Phase thickness (μm)	0.75	1.	0.25	0.25
Program	50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min)	40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C	40C (6min) => 2.5C/min => 150C => 90C/min => 250C	40C (6min) => 2.5C/min => 150C => 90C/min => 250C	not specified
I	753.	751.	754.	754.	723.
Reference	Beaulieu J.C. and Lea J.M., 2006	van Ruth, Floris, et al., 2006	Jordán, Margaría, et al., 2002	Jordán, Margaría, et al., 2002	Binder, Flath, et al., 1989
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	SF96+Igepal
Column length (m)	152.
Carrier gas
Substrate
Column diameter (mm)	0.76
Phase thickness (μm)
Program	25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C
I	741.
Reference	Flath, Altieri, et al., 1984
Comment	MSDC-RI

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

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]

Xie, Sun, et al., 2008
Xie, J.; Sun, B.; Zheng, F.; Wang, S., Volatile flavor constituents in roasted pork of mini-pig, Food Chem., 2008, 109, 3, 506-514, https://doi.org/10.1016/j.foodchem.2007.12.074 . [all data]

Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H., Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques, Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x . [all data]

Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030 . [all data]

Beaulieu J.C. and Lea J.M., 2006
Beaulieu J.C.; Lea J.M., Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction, J. Agric. Food Chem., 2006, 54, 20, 7789-7793, https://doi.org/10.1021/jf060663l . [all data]

van Ruth, Floris, et al., 2006
van Ruth, S.M.; Floris, V.; Fayoux, S., Characterisation of the volatile profiles of infant formulas by proton transfer reaction-mass spectrometry and gas chromatography-mass spectrometry, Food Chem., 2006, 98, 2, 343-350, https://doi.org/10.1016/j.foodchem.2005.06.012 . [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]

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

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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