9,12-Octadecadienoic acid (Z,Z)-, methyl ester
- Formula: C19H34O2
- Molecular weight: 294.4721
- IUPAC Standard InChIKey: WTTJVINHCBCLGX-NQLNTKRDSA-N
- CAS Registry Number: 112-63-0
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Linoleic acid, methyl ester; Methyl cis,cis-9,12-octadecadienoate; Methyl linoleate; Methyl 9-cis,12-cis-octadecadienoate; 9,12-Octadecadienoic acid, methyl ester, (Z,Z); cis-9,cis-12-Octadecadienoic acid, methyl ester; cis-Linoleic acid methyl ester; Methyl (Z,Z)-9,12-octadecadienoate; (Z,Z)-9,12-octadecadienoic acid methyl ester; (9Z,12Z)-Octadecadienoic acid methyl ester; 9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester; Methyl linolate; methyl (Z,Z)-9,12-octadienoate; Natural methyl linoleate
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Normal alkane RI, non-polar column, custom temperature program
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTx-1 | HP-5 MS | DB-1 | 5 % Phenyl methyl siloxane | |
Column length (m) | 60. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | not specified | not specified | not specified | 50 0C (2 min) 10 0C/min -> 150 0C 15 0C/min -> 300 0C (10 min) |
I | 2127. | 2072. | 2097. | 2082. | 2123. |
Reference | Brandi, Bar, et al., 2011 | Dib, Bendahou, et al., 2010 | Vedernikov and Roschin, 2010 | Xu, Tang, et al., 2010 | Huang, Qin, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | OV-1 | SF-96 | CP Sil 5 CB | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
Column length (m) | 30. | 15. | 40. | 25. | 50. |
Carrier gas | He | He | He | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.317 | 0.28 | 0.32 | |
Phase thickness (μm) | 0.25 | ||||
Program | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 50C(4min) => 4C/min => 90C => 10C/min => 300C(10min) | 75C => 3C/min => 190C(25min) => 3C/min => 210C | not specified | not specified |
I | 2089. | 2070. | 2067. | 2090. | 2100. |
Reference | Moronkola, Ogunwande, et al., 2007 | El-Shazly and Hussein, 2004 | Kawasaki, Matsui, et al., 1998 | Weyerstahl, Marschall, et al., 1998 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Other |
---|---|
Active phase | Methyl Silicone |
Column length (m) | |
Carrier gas | |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | not specified |
I | 2100. |
Reference | Ardrey and Moffat, 1981 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Brandi, Bar, et al., 2011
Brandi, F.; Bar, E.; Mourgues, F.; Horvath, G.; Turcsi, E.; Giuliano, G.; Liverani, A.; Tartarini, S.; Lewinsohn, E.; Rosati, C.,
Study of Redhaven peach and its white-fleshed mutant suggests a key role of CCD4 carotenoid dioxygenase in carotenoid and norisoprenoid volatile metabolism,
BMC Plant Biol., 2011, 11, 24, 1-14. [all data]
Dib, Bendahou, et al., 2010
Dib, M.A.; Bendahou, M.; Bendiabdellah, A.; Djabou, N.; Allali, H.; Tabti, B.; Paolini, J.; Costa, J.,
Partial chemical composition and antimicrobial activity of Daucus crinitus Desf. extracts,
Grasas y Aceites, 2010, 61, 3, 271-278, https://doi.org/10.3989/gya.122609
. [all data]
Vedernikov and Roschin, 2010
Vedernikov, D.N.; Roschin, V.I.,
Extractive compounds of Birch Buds (Betula pendula Roth.): I. Composition of fatty acids, hydrocarbons , and esters,
Rus. J. Bioorg. Chem., 2010, 36, 7, 894-898, https://doi.org/10.1134/S1068162010070174
. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Huang, Qin, et al., 2009
Huang, B.; Qin, L.; Chu, Q.; Zhang, Q.; Gao, L.; Zheng, H.,
Comparison of headspace SPME with hydrodistillation and SFE for analysis of the volatile components of the roots of Valeriana officinalis var. latifolia,
Chromatographia, 2009, 69, 5/6, 489-496, https://doi.org/10.1365/s10337-008-0921-y
. [all data]
Moronkola, Ogunwande, et al., 2007
Moronkola, D.O.; Ogunwande, I.A.; Walker, T.M.; Setzer, W.N.; Oyewole, I.O.,
Identification of the main volatile compounds in the leaf and flower of Tithonia diversifolia (Hemsl) Gray,
J. Nat. Med., 2007, 61, 1, 63-66, https://doi.org/10.1007/s11418-006-0019-5
. [all data]
El-Shazly and Hussein, 2004
El-Shazly, A.M.; Hussein, K.T.,
Chemical analysis and biological activities of the essential oil of Teucrium leucocladum Boiss. (Lamiaceae),
Biochem. Syst. Ecol., 2004, 32, 7, 665-674, https://doi.org/10.1016/j.bse.2003.12.009
. [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]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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