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, 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 | SPB-5 | HP-5 | HP-5 | HP-5MS | CP Sil 5 CB |
| Column length (m) | 60. | 30. | 30. | 30. | 60. |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 50. | 60. | 60. | 60. |
| Tend (C) | 230. | 250. | 220. | 250. | 280. |
| Heat rate (K/min) | 3. | 4. | 5. | 4. | 3. |
| Initial hold (min) | 2. | 4. | 10. | 2. | 10. |
| Final hold (min) | 10. | 10. | 20. | 60. | |
| I | 1525. | 1526. | 1527. | 1526. | 1509. |
| Reference | Engel and Ratel, 2007 | Quijano, Salamanca, et al., 2007 | Flamini, Tebano, et al., 2006 | Pino, Mesa, et al., 2005 | Pino, Almora, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | OV-1 | OV-1 | DB-1 |
| Column length (m) | 30. | 30. | 20. | 20. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.3 | 0.3 | 0.25 |
| Tstart (C) | 40. | 50. | 45. | 45. | 50. |
| Tend (C) | 325. | 280. | 220. | 220. | 300. |
| Heat rate (K/min) | 3. | 4. | 10. | 10. | 5. |
| Initial hold (min) | 5. | 5. | 5. | 2. | |
| Final hold (min) | 10. | 10. | 5. | ||
| I | 1507.0 | 1527. | 1509. | 1505. | 1506. |
| Reference | Sun and Stremple, 2003 | Lazari, Skaltsa, et al., 2000 | Valero, Sanz, et al., 1999 | Valero, Sanz, et al., 1999 | Johnson, Urso, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | SE-30 | BP-1 | DB-5 |
| Column length (m) | 30. | 30. | 22. | 12. | 30. |
| Carrier gas | N2 | H2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.2 | 0.30 | 0.26 | |
| Phase thickness (μm) | 0.25 | 0.25 | 1.0 | 0.25 | |
| Tstart (C) | 50. | 50. | 60. | 40. | 50. |
| Tend (C) | 300. | 300. | 250. | 240. | 300. |
| Heat rate (K/min) | 5. | 5. | 2. | 4. | 6. |
| Initial hold (min) | 2. | 2. | 2. | 4. | |
| Final hold (min) | 5. | 5. | 75. | 20. | |
| I | 1506. | 1506. | 1509. | 1507. | 1524. |
| Reference | Johnson, Urso, et al., 1997 | Johnson, Urso, et al., 1997 | de Frutos, Sanz, et al., 1991 | Tan, Wilkins, et al., 1989 | Rostad and Pereira, 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Packed |
|---|---|---|---|
| Active phase | SE-54 | SE-54 | SE-30 |
| Column length (m) | 25. | 25. | |
| Carrier gas | H2 | H2 | |
| Substrate | Celite | ||
| Column diameter (mm) | 0.31 | 0.31 | |
| Phase thickness (μm) | 0.17 | 0.17 | |
| Tstart (C) | 35. | 35. | 75. |
| Tend (C) | 228. | ||
| Heat rate (K/min) | 2. | 2. | |
| Initial hold (min) | |||
| Final hold (min) | |||
| I | 1526. | 1527. | 1513. |
| Reference | Weber, 1986 | Weber, 1986 | van den Dool and Kratz, 1963 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Quijano, Salamanca, et al., 2007
Quijano, C.E.; Salamanca, G.; Pino, J.A.,
Aroma volatile constituents of Colombian varieties of mango (Mangifera indica L.),
Flavour Fragr. J., 2007, 22, 5, 401-406, https://doi.org/10.1002/ffj.1812
. [all data]
Flamini, Tebano, et al., 2006
Flamini, G.; Tebano, M.; Cioni, P.L.; Bagci, Y.; Dural, H.; Ertugrul, K.; Uysal, T.; Savran, A.,
A multivariate statistical approach to Centaurea classification using essential oil composition data of some species from Turkey,
Pl. Syst. Evol., 2006, 261, 1-4, 217-228, https://doi.org/10.1007/s00606-006-0448-3
. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248
. [all data]
Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Volatile constituents of Centaurea pelia DC., C. thessala Hausskn. subsp. drakiensis (Freyn Sint.) Georg. and C. zuccariniana DC. from Greece,
Flavour Fragr. J., 2000, 15, 1, 7-11, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<7::AID-FFJ860>3.0.CO;2-3
. [all data]
Valero, Sanz, et al., 1999
Valero, E.; Sanz, J.; Martinez-Castro, I.,
Volatile components in microwave- and conventionally-heated milk,
Food Chem., 1999, 66, 3, 333-338, https://doi.org/10.1016/S0308-8146(99)00069-2
. [all data]
Johnson, Urso, et al., 1997
Johnson, C.I.; Urso, A.; Geleta, L.,
Broad spectrum analysis of municipal and industrial effluents discharged into the Peace, Athabasca and Slave river basins: characterization of effluent samples, 1994 - Volume 1 of 2, Northern River Basins Study Project Report No. 121, Norther River Basins Study, Edmonton, Alberta, 1997, 27. [all data]
de Frutos, Sanz, et al., 1991
de Frutos, M.; Sanz, J.; Martinez-Castro, I.,
Characterization of artisanal cheeses by GC and GC/MS analysis of their medium volatility (SDE) fraction,
J. Agric. Food Chem., 1991, 39, 3, 524-530, https://doi.org/10.1021/jf00003a019
. [all data]
Tan, Wilkins, et al., 1989
Tan, S.T.; Wilkins, A.L.; Holland, P.T.; McGhie, T.K.,
Extractives from New Zealand unifloral honeys. 2. Degraded carotenoids and other substances from heather honey,
J. Agric. Food Chem., 1989, 37, 5, 1217-1221, https://doi.org/10.1021/jf00089a004
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Weber, 1986
Weber, L.,
Utilization of the Sadtler standard RI system in micropollution analyses,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 446-451, https://doi.org/10.1002/jhrc.1240090806
. [all data]
van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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