Dodecanoic acid, ethyl ester
- Formula: C14H28O2
- Molecular weight: 228.3709
- IUPAC Standard InChI: InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3-13H2,1-2H3
- IUPAC Standard InChIKey: MMXKVMNBHPAILY-UHFFFAOYSA-N
- CAS Registry Number: 106-33-2
- 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. - Other names: Lauric acid, ethyl ester; Ethyl dodecanoate; Ethyl dodecylate; Ethyl laurate; Ethyl laurinate; Ethyl n-dodecanoate; Ethyl ester of dodecanoic acid; Ethyl n-dodecanote; Ethyl ester dodecanoic acid
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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 | CP Sil 5 CB | HP-5MS |
| Column length (m) | 60. | 30. | 30. | 25. | 30. |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.4 | 0.25 |
| Tstart (C) | 40. | 50. | 60. | 60. | 60. |
| Tend (C) | 230. | 250. | 220. | 260. | 250. |
| Heat rate (K/min) | 3. | 4. | 5. | 5. | 4. |
| Initial hold (min) | 2. | 4. | 10. | 2. | |
| Final hold (min) | 10. | 10. | 20. | 20. | |
| I | 1593. | 1597. | 1596. | 1566. | 1597. |
| Reference | Engel and Ratel, 2007 | Quijano, Salamanca, et al., 2007 | Flamini, Tebano, et al., 2006 | Kafkas, Cabaroglu, et al., 2006 | Pino, Mesa, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | CP Sil 5 CB | SPB-5 | HP-5 | CP Sil 5 CB |
| Column length (m) | 30. | 60. | 30. | 30. | 50. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.4 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 250. | 280. | 250. | 280. | 280. |
| Heat rate (K/min) | 4. | 3. | 4. | 4. | 3. |
| Initial hold (min) | 2. | 10. | 2. | 5. | 10. |
| Final hold (min) | 20. | 60. | 20. | 60. | |
| I | 1596. | 1581. | 1595. | 1591. | 1577. |
| Reference | Pino, Marbot, et al., 2004 | Pino, Almora, et al., 2003 | Pino, Marbot, et al., 2003 | Skaltsa, Demetzos, et al., 2003 | Pino, Marbot, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 5 CB | DB-5 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 50. | 30. | 30. | 30. | 30. |
| Carrier gas | He | H2 | H2 | H2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.4 | 1. | 1. | 1. | 1. |
| Tstart (C) | 60. | 40. | 40. | 40. | 40. |
| Tend (C) | 280. | 210. | 210. | 210. | 210. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 60. | ||||
| I | 1581. | 1590. | 1591. | 1590. | 1591. |
| Reference | Pino, Marbot, et al., 2001 | Moio, Piombino, et al., 2000 | Moio, Piombino, et al., 2000 | Moio and Addeo, 1998 | Moio and Addeo, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Packed |
|---|---|---|---|---|
| Active phase | DB-5 | SE-30 | SE-30 | SE-30 |
| Column length (m) | 30. | 22. | 25. | |
| Carrier gas | H2 | N2 | N2 | |
| Substrate | Celite | |||
| Column diameter (mm) | 0.32 | 0.30 | 0.33 | |
| Phase thickness (μm) | 1. | 1.0 | ||
| Tstart (C) | 40. | 60. | 100. | 75. |
| Tend (C) | 220. | 250. | 320. | 228. |
| Heat rate (K/min) | 3. | 2. | 6. | |
| Initial hold (min) | ||||
| Final hold (min) | ||||
| I | 1591. | 1577. | 1581. | 1579. |
| Reference | Moio L., Rillo L., et al., 1996 | de Frutos, Sanz, et al., 1991 | Korhonen, 1985 | van den Dool and Kratz, 1963 |
| Comment | MSDC-RI | 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]
Kafkas, Cabaroglu, et al., 2006
Kafkas, E.; Cabaroglu, T.; Selli, S.; Bozdogan, A.; Kürkçüoglu, M.; Paydas, S.; Baser, K.H.C.,
Identification of volatile aroma compounds of strawberry wine using solid-phase microextraction techniques coupled with gas chromatography-mass spectrometry,
Flavour Fragr. J., 2006, 21, 1, 68-71, https://doi.org/10.1002/ffj.1503
. [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, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269
. [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]
Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba,
Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187
. [all data]
Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i
. [all data]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F.,
Odour-impact compounds of Gorgonzola cheese,
J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106
. [all data]
Moio and Addeo, 1998
Moio, L.; Addeo, F.,
Grana Padano cheese aroma,
J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768
. [all data]
Moio L., Rillo L., et al., 1996
Moio L.; Rillo L.; Ledda A.; Addeo F.,
Odorous constituents of ovine milk in relationship to diet,
J. Dairy Sci., 1996, 79, 8, 1322-1331, https://doi.org/10.3168/jds.S0022-0302(96)76488-3
. [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]
Korhonen, 1985
Korhonen, I.O.O.,
Gas-liquid chromatographic analyses. XLIII. Retention increments for 2-chloro-, 2,2-dichloro- and 2,2,2-trichloroethyl esters of aliphatic C2-C20 n-alkanoic acids on SE-30 and OV-351 capillary columns,
J. Chromatogr., 1985, 329, 43-56, https://doi.org/10.1016/S0021-9673(01)81894-X
. [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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