Linoleic acid ethyl ester

Formula: C₂₀H₃₆O₂
Molecular weight: 308.4986
IUPAC Standard InChI: InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-
IUPAC Standard InChIKey: FMMOOAYVCKXGMF-MURFETPASA-N
CAS Registry Number: 544-35-4
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
- 9,12-Octadecadienoic acid, ethyl ester
Other names: Ethyl linoleate; 9,12-Octadecadienoic acid (Z,Z)-, ethyl ester; Ethyl cis,cis-9,12-octadecadienoate; Ethyl linolate; Mandenol; ethyl (Z,Z)-9,12-octadecadienoate; Ethyl (9Z,12Z)-9,12-octadecadienoate
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Normal alkane RI, polar column, custom temperature program

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	DB-Wax	DB-Wax	Carbowax 20M	HP-Innowax FSC	Nukol
Column length (m)	30.	30.		60.	25.
Carrier gas	Helium	Hydrogen		He	N2
Substrate
Column diameter (mm)	0.25	0.32		0.25	0.25
Phase thickness (μm)	0.25	0.50		0.25
Program	not specified	60 0C (3 min) 2 0C/min -> 220 0C 3 0C/min -> 245 0C (20 min)	not specified	60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C	45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min)
I	2515.	2511.	2530.	2538.	2486.
Reference	Zhao, Xu, et al., 2009	Selli, 2007	Vinogradov, 2004	Erdemoglu, Sener, et al., 2003	López and Dufour, 2001
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

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

Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W., Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry, J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x . [all data]

Selli, 2007
Selli, S., Volatile constituents of orange obtained from moro oranges (Citrus Sinensis L. Osbeck), J. Food Quality, 2007, 30, 3, 330-341, https://doi.org/10.1111/j.1745-4557.2007.00124.x . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Erdemoglu, Sener, et al., 2003
Erdemoglu, N.; Sener, B.; Demirci, B.; Baser, K.H.C., The glycosidically bound volatile compounds of Taxus baccata, Chem. Nat. Compd. (Engl. Transl.), 2003, 39, 2, 195-198, https://doi.org/10.1023/A:1024870031960 . [all data]

López and Dufour, 2001
López, M.G.; Dufour, J.P., Chapter 6. Tequilas: charm analysis of Blanco, Teposado, and Anejo tequilas, Am. Chem. Soc. Symp. Ser., 2001, 782, 62-72. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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