9,12,15-Octadecatrienoic acid, methyl ester, (Z,Z,Z)-
- Formula: C19H32O2
- Molecular weight: 292.4562
- IUPAC Standard InChI: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-
- IUPAC Standard InChIKey: DVWSXZIHSUZZKJ-YSTUJMKBSA-N
- CAS Registry Number: 301-00-8
- 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. - Stereoisomers:
- Other names: Linolenic acid, methyl ester; Methyl all-cis-9,12,15-octadecatrienoate; Methyl linolenate; cis,cis,cis-9,12,15-Octadecatrienoic acid, methyl ester; Methyl α-linolenate; Methyl linolenate, α; (Z,Z,Z)-9,12,15-Octadecatrienoic acid, methyl ester; [Z,Z,Z]-9,12,15-Octadecadienoic acid methyl ester; methyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
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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 | VF-5 | VF-5 | HP-5 MS | RTx-1 | HP-5 MS |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) | not specified | 40 0C (5 min) 30 0C/min -> 60 0C 6 0C/min -> 230 0C (10 min) | not specified | not specified |
| I | 2108. | 2098. | 2047. | 2081. | 2098. |
| Reference | Shivashankar, Roy, et al., 2012 | Shivashankar, Roy, et al., 2012 | Grzeszczuk, Wesolowska, et al., 2011 | Dib, Bendahou, et al., 2010 | Vedernikov and Roschin, 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5 | OV-1 |
| Column length (m) | 25. | 15. |
| Carrier gas | Helium | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.317 |
| Phase thickness (μm) | 0.17 | |
| Program | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C | 50C(4min) => 4C/min => 90C => 10C/min => 300C(10min) |
| I | 2095. | 2080. |
| Reference | Maggi, Bilek, et al., 2009 | El-Shazly and Hussein, 2004 |
| Comment | MSDC-RI | 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.
Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R.,
Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss,
Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]
Grzeszczuk, Wesolowska, et al., 2011
Grzeszczuk, M.; Wesolowska, A.; Jadczak, D.; Jakubowska, B.,
Nutritional value of Chili edible flowers,
Acta Sci. Pol. Hortorum Cultus, 2011, 10, 2, 85-94. [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]
Maggi, Bilek, et al., 2009
Maggi, F.; Bilek, T.; Lucarini, D.; Papa, F.; Sagratini, G.; Vittori, S.,
Melittis melissophyllum L. subsp. melissophylum (Lamiaceae) from central Italy: A new source of a mushrrom-like flavour,
Food Chem., 2009, 113, 1, 216-221, https://doi.org/10.1016/j.foodchem.2008.07.066
. [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]
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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