9-Octadecenoic acid, methyl ester
- Formula: C19H36O2
- Molecular weight: 296.4879
- IUPAC Standard InChI: InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+
- IUPAC Standard InChIKey: QYDYPVFESGNLHU-ZHACJKMWSA-N
- CAS Registry Number: 2462-84-2
- 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:
- Stereoisomers:
- Other names: Methyl 9-octadecenoate; 18:1n-9 methyl ester; Methyl octadec-9-enoate
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, temperature ramp
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 | DB-5 | HP-1 | HP-1 | DB-1 | OV-101 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.3 |
| Phase thickness (μm) | 0.25 | 0.1 | 0.1 | ||
| Tstart (C) | 40. | 50. | 50. | 70. | 80. |
| Tend (C) | 250. | 300. | 300. | 300. | 275. |
| Heat rate (K/min) | 5. | 5. | 5. | 3. | 2. |
| Initial hold (min) | 2. | 2. | 2. | 5. | 7. |
| Final hold (min) | 10. | 3. | 3. | ||
| I | 2082. | 2087. | 2087. | 2075. | 2101. |
| Reference | Wu, Krings, et al., 2005 | Boatright and Crum, 1997 | Boatright and Crum, 1997 | Guy and Vernin, 1996 | Pinkston, Spiteller, et al., 1981 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wu, Krings, et al., 2005
Wu, S.; Krings, U.; Zorn, H.; Berger, R.G.,
Volatile compounds from the fruiting bodies of beefsteak fungus Fistulina hepatica (Schaeffer: Fr.) Fr.,
Food Chem., 2005, 92, 2, 221-226, https://doi.org/10.1016/j.foodchem.2004.07.013
. [all data]
Boatright and Crum, 1997
Boatright, W.L.; Crum, A.D.,
Nonpolar-volatile lipids from soy protein isolates and hexane-defatted flakes,
J. Amer. Oil Chem. Soc., 1997, 74, 4, 461-467, https://doi.org/10.1007/s11746-997-0107-z
. [all data]
Guy and Vernin, 1996
Guy, I.; Vernin, G.,
Minor compounds from Cistus ladaniferus L. essential oil from esterel. 2. Acids and phenols,
J. Essent. Oil Res., 1996, 8, 4, 455-462, https://doi.org/10.1080/10412905.1996.9700666
. [all data]
Pinkston, Spiteller, et al., 1981
Pinkston, D.; Spiteller, G.; von Henning, H.; Matthaei, D.,
High-resolution gas chromatography-mass spectrometry of the methyl esters of organic acids from uremic hemofiltrates,
J. Chromatogr., 1981, 223, 1, 1-19, https://doi.org/10.1016/S0378-4347(00)80063-8
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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