Dodecanoic acid, methyl ester
- Formula: C13H26O2
- Molecular weight: 214.3443
- IUPAC Standard InChI: InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
- IUPAC Standard InChIKey: UQDUPQYQJKYHQI-UHFFFAOYSA-N
- CAS Registry Number: 111-82-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Lauric acid, methyl ester; Metholene 2296; Methyl dodecanoate; Methyl dodecylate; Methyl laurate; Methyl laurinate; Methyl n-dodecanoate; Uniphat A40; NSC 5027
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Van Den Dool and Kratz RI, polar column, custom temperature program
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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 |
|---|---|---|
| Active phase | Stabilwax | DB-Wax |
| Column length (m) | 30. | 60. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 |
| Program | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 35C(0.7min) => 20C/min => 70C => 4C/min => 240C |
| I | 1804. | 1793. |
| Reference | Wang, Finn, et al., 2005 | Ferrari, Lablanquie, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C.,
Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis,
J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m
. [all data]
Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E.,
Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation,
J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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