2-Undecenal, E-

Formula: C₁₁H₂₀O
Molecular weight: 168.2759
IUPAC Standard InChI: InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+
IUPAC Standard InChIKey: PANBRUWVURLWGY-MDZDMXLPSA-N
CAS Registry Number: 53448-07-0
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:
- 2-Undecenal
Stereoisomers:
- cis-2-Undecenal
Other names: (2E)-2-Undecenal; 2(E)-Undecenal; 2-Undecenal, trans; (E)-2-Undecenal; (E)-Undec-2-enal; trans-2-Undecenal; trans-Undec-2-enal; Undec-2(E)-enal; trans-2-Undecen-1-al; (E)-2-Undecanal
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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Normal alkane RI, 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	CP-Wax 52 CB	Innowax FSC	HP-Innowax FSC	Carbowax 20M	HP Innowax FSP
Column length (m)	60.	60.	60.		60.
Carrier gas	Helium	He	N2		N2
Substrate
Column diameter (mm)	0.25	0.25	0.25		0.25
Phase thickness (μm)	0.25	0.25	0.25		0.25
Program	45 0C (5 min) 3 0C/min -> 150 0C 10 0C/min -> 240 0C	60C(10min) => 4C/min >220C (10min) => 1C/min => 240C	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	not specified	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
I	1753.	1775.	1764.	1722.	1764.
Reference	Romeo, Verzera, et al., 2009	Baser, Özek, et al., 2006	Tunalier, Candan, et al., 2006	Editorial paper, 2005	Altintas, Kose, et al., 2004
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	FFAP	HP-Innowax FSC	Innowax FSC	DB-Wax	FFAP
Column length (m)	30.	60.	60.	30.	30.
Carrier gas		He	He	He	He
Substrate
Column diameter (mm)	0.32	0.25	0.25	0.25	0.32
Phase thickness (μm)	0.25	0.25	0.25	0.25	0.25
Program	35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C	25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C	35C(1min) => 40C/min => 60C (1min) => 6C/min => 230C
I	1720.	1764.	1765.	1705.	1703.
Reference	Buettner, Mestres, et al., 2003	Kivcak B., Mert T., et al., 2001	Kirimer, Tabanca, et al., 2000	Caldentey, Daria Fumi, et al., 1998	Matsui, Guth, et al., 1998
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Column type	Capillary
Active phase	DB-FFAP
Column length (m)	30.
Carrier gas	He
Substrate
Column diameter (mm)	0.32
Phase thickness (μm)
Program	35C => 40C/min => 60C (1min) => 6C/min => 250C
I	1736.
Reference	Lizárraga-Guerra, Guth, et al., 1997
Comment	MSDC-RI

References

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

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]

Baser, Özek, et al., 2006
Baser, K.H.C.; Özek, G.; Özek, T.; Duran, A.; Duman, H., Composition of the essential oils of Rhabdosciadium oligocarpum (Post ex Boiss.) Hedge et Lamond and Rhabdosciadium microcalycinum Hand.-Mazz., Flavour Fragr. J., 2006, 21, 4, 650-655, https://doi.org/10.1002/ffj.1639 . [all data]

Tunalier, Candan, et al., 2006
Tunalier, Z.; Candan, N.T.; Demirci, B.; Baser, K.H., The essential oil composition of Acroptilon repens (L.) DC. of Turkish origin, Flavour Fragr. J., 2006, 21, 3, 462-464, https://doi.org/10.1002/ffj.1670 . [all data]

Editorial paper, 2005
Editorial paper, Solid Phase Microextraction (SPME) Application Guide, The Reporter Europe (Supelco), 2005, 16, 5, 12-12. [all data]

Altintas, Kose, et al., 2004
Altintas, A.; Kose, Y.B.; Yucel, E.; Demirci, B.; Baser, K.H.C., Composition of the essential oil of Centaurea dichroa, Chem. Nat. Compd. (Engl. Transl.), 2004, 40, 6, 604-605, https://doi.org/10.1007/s10600-005-0051-9 . [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]

Kivcak B., Mert T., et al., 2001
Kivcak B.; Mert T.; Demirci B.; Baser K.H.C., Composition of the essential oil of Arbutus unedo, Chem. Nat. Compd. (Engl. Transl.), 2001, 37, 5, 445-446, https://doi.org/10.1023/A:1014419309885 . [all data]

Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C., Essential oils of annual Sideritis species growing in Turkey, Pharm. Biol., 2000, 38, 2, 106-111, https://doi.org/10.1076/1388-0209(200004)3821-1FT106 . [all data]

Caldentey, Daria Fumi, et al., 1998
Caldentey, P.; Daria Fumi, M.; Mazzoleni, V.; Careri, M., Volatile compounds produced by microorganisms isolated from cork, Flavour Fragr. J., 1998, 13, 3, 185-188, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<185::AID-FFJ723>3.0.CO;2-W . [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]

Lizárraga-Guerra, Guth, et al., 1997
Lizárraga-Guerra, R.; Guth, H.; López, M.G., Identification of the most potent odorants in huitlacoche (Ustilago maydis) and austern pilzen (Pleurotus sp.) by aroma extract dilution analysis and static head-space samples, J. Agric. Food Chem., 1997, 45, 4, 1329-1332, https://doi.org/10.1021/jf960650f . [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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