3-Hexenal, (Z)-

Formula: C₆H₁₀O
Molecular weight: 98.1430
IUPAC Standard InChI: InChI=1S/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3-
IUPAC Standard InChIKey: GXANMBISFKBPEX-ARJAWSKDSA-N
CAS Registry Number: 6789-80-6
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- (Z)-3-Hexenal
Stereoisomers:
Other names: cis-3-Hexenal; 3-(Z)-Hexenal; cis-β,γ-Hexylenic aldehyde; (3Z)-3-Hexenal; Hex-cis-3-enal; (Z)-3-Hexen-1-al; (Z)-3-Hexenal; (Z)-Hex-3enal
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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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	DB-5	HP-5MS	5 % Phenyl methyl siloxane	DB-5
Column length (m)	60.	30.		30.	60.
Carrier gas	Helium	He
Substrate
Column diameter (mm)	0.25	0.25		0.25	0.25
Phase thickness (μm)	0.25	0.25		0.75	0.25
Program	50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min)	40C(1min) => 7C/min => 110C => 5C/min => 180C => 10C/min => 240C(10min)	not specified	50C(1min) => 5C/min => 100C => 10C/min => 190C => 30C/min => 250C(1min)	50C => 5C/min => 100C => 15C/min => 250C (19C)
I	775.	800.	800.	799.	796.
Reference	Delort and Jaquier, 2009	Greger and Schieberle, 2007	Mallia, Escher, et al., 2007	Beaulieu J.C. and Lea J.M., 2006	Beaulieu, 2005
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5	CP-Sil5 CB MS	SE-54	DB-5	SF-96
Column length (m)	50.	50.	30.	30.	40.
Carrier gas	He			H2
Substrate
Column diameter (mm)	0.2	0.32	0.32	0.3	0.28
Phase thickness (μm)	0.5	1.2	0.25	0.25
Program	40C(1min) => 5C/min => 210C => 20C/min => 250C(8min)	36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min)	35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min)	35C (1min) => 40C/min => 60C (5min) => 4C/min => 240C	75C => 3C/min => 190C(25min) => 3C/min => 210C
I	803.	764.	798.	800.	773.
Reference	Himanen, Vuorinen, et al., 2005	Iraqi, Vermeulen, et al., 2005	Buettner, Mestres, et al., 2003	Triqui and Bouchriti, 2003	Kawasaki, Matsui, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	RTX-5	RTX-5	RTX-5	SE-54	SE-54
Column length (m)	30.			30.	30.
Carrier gas	He				He
Substrate
Column diameter (mm)	0.53			0.32	0.32
Phase thickness (μm)	1.5			0.25
Program	35 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 230 0C	not specified	not specified	35 0C (2 min) 40 0C/min -> 50 0C (1 min) 6 0C/min -> 230 0C	40 0C -> (unknowm rate) 50 0C (2 min) 6 0C/min -> 200 0C
I	800.	800.	800.	800.	800.
Reference	Masanetz and Grosch, 1998	Masanetz, Guth, et al., 1998	Masanetz, Guth, et al., 1998	Reiners and Grosch, 1998	Milo and Grosch, 1993
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	SE-54
Column length (m)	30.
Carrier gas
Substrate
Column diameter (mm)	0.32
Phase thickness (μm)	0.20
Program	2 min at 35 0C; 35-50 0C at 40 deg/min; 5 min at 50 0C; 50 - 220 0C at 4 deg/min;
I	800.
Reference	Schieberle, Ofner, et al., 1990
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]

Greger and Schieberle, 2007
Greger, V.; Schieberle, P., Characterization of the Key Aroma Compounds in Apricots (Prunus armeniaca) by Application of the Molecular Sensory Science Concept, J. Agric. Food Chem., 2007, 55, 13, 5221-5228, https://doi.org/10.1021/jf0705015 . [all data]

Mallia, Escher, et al., 2007
Mallia, S.; Escher, F.; Rehberger, B.; Schlichtherle-Cerny, H., Aroma-active secondary oxidation products of butter, 3rd QLIF Congress, Hohenheim, Germany, March 20-23, 2007, 2007, retrieved from http://orgprints.org/view/projects/int_conf_qlif2007.html; http://orgprints.org/9734/. [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]

Beaulieu, 2005
Beaulieu, J.C., Within-Season Volatile and Quality Differences in Stored Fresh-Cut Cantaloupe Cultivars, J. Agric. Food Chem., 2005, 53, 22, 8679-8687, https://doi.org/10.1021/jf050241w . [all data]

Himanen, Vuorinen, et al., 2005
Himanen, S.; Vuorinen, T.; Tuovinen, T.; Holopainen, J.K., Effects of Cyclamen Mite (Phytonemus pallidus) and Leaf Beetle (Galerucella tenella) Damage on Volatile Emission from Strawberry (Fragaria ´ ananassa Duch.) Plants and Orientation of Predatory Mites (Neoseiulus cucumeris, N. californicus, and Euseius finlandicus), J. Agric. Food Chem., 2005, 53, 8624-8630. [all data]

Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S., Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis, J. Agric. Food Chem., 2005, 53, 4, 1179-1184, https://doi.org/10.1021/jf040349w . [all data]

Buettner, Mestres, et al., 2003
Buettner, A.; Mestres, M.; Fischer, A.; Guasch, J.; Schieberle, P., Evaluation of the most odour-active compounds in the peel oil of clementines ( citrus reticulata blanco cv. clementine), Eur. Food Res. Technol., 2003, 216, 11-14. [all data]

Triqui and Bouchriti, 2003
Triqui, R.; Bouchriti, N., Freshness assessments of Moroccan sardine (Sardina pilchardus): comparison of overall sensory changes to instrumentally determined volatiles, J. Agric. Food Chem., 2003, 51, 26, 7540-7546, https://doi.org/10.1021/jf0348166 . [all data]

Kawasaki, Matsui, et al., 1998
Kawasaki, W.; Matsui, K.; Akakabe, Y.; Itai, N.; Kajiwara, T., Long-chain aldehyde-forming activity in tobacco leaves, Phytochemistry, 1998, 49, 6, 1565-1568, https://doi.org/10.1016/S0031-9422(98)00236-2 . [all data]

Masanetz and Grosch, 1998
Masanetz, C.; Grosch, W., Key odorants of parsley leaves (Petroselinum crispum [Mill.] Nym. ssp. crispum) by odour-activity values, Flavour Fragr. J., 1998, 13, 2, 115-124, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<115::AID-FFJ706>3.0.CO;2-6 . [all data]

Masanetz, Guth, et al., 1998
Masanetz, C.; Guth, H.; Grosch, W., Fishy and hay-like off-flavours of dry spinach, Z. Lebensm. Unters. Forsch. A, 1998, 206, 2, 108-113, https://doi.org/10.1007/s002170050224 . [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]

Milo and Grosch, 1993
Milo, C.; Grosch, W., Changes in the odorants of boiled trout (Salmo fario) as affected by the storage of the raw material, J. Agric. Food Chem., 1993, 41, 11, 2076-2081, https://doi.org/10.1021/jf00035a048 . [all data]

Schieberle, Ofner, et al., 1990
Schieberle, P.; Ofner, S.; Grosch, W., Evaluation of Potent Odorants in Cucumbers (Cucumis sativus) and Muskmelons (Cucumis melo) by Aroma Extract Dilution Analysis, J. Food Sci., 1990, 55, 1, 193-195, https://doi.org/10.1111/j.1365-2621.1990.tb06050.x . [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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