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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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 | DB-1 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Nitrogen | He | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.15 | 1. | 1. | 0.25 |
| Tstart (C) | 40. | 60. | 40. | 40. | 40. |
| Tend (C) | 230. | 220. | 250. | 230. | 240. |
| Heat rate (K/min) | 2. | 3. | 4. | 6. | 4. |
| Initial hold (min) | 2. | 2. | 2. | ||
| Final hold (min) | 15. | 15. | |||
| I | 1597. | 1588. | 1563. | 1593. | 1593. |
| Reference | Scrivanti, Anton, et al., 2009 | Ouattara, Koudou, et al., 2007 | Fan and Qian, 2006 | Fan and Qian, 2006, 2 | El-Sayed, Heppelthwaite, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | DB-1 | SPB-5 | RTX-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 20. | 30. |
| Carrier gas | He | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.18 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.4 | 0.25 |
| Tstart (C) | 60. | 160. | 40. | 20. | 60. |
| Tend (C) | 285. | 252. | 220. | 290. | 270. |
| Heat rate (K/min) | 4.3 | 10. | 5. | 40. | 3. |
| Initial hold (min) | 1. | 3.5 | |||
| Final hold (min) | 20. | 0.5 | |||
| I | 1576. | 1577. | 1596. | 1594. | 1598. |
| Reference | Tesevic, Nikicevic, et al., 2005 | Krop, 2003 | Ledauphin, Guichard, et al., 2003 | Sies A., Hirsch R., et al., 2002 | Palmeira, Conserva, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-1 | OV-101 | DB-5 | DB-1 |
| Column length (m) | 30. | 25. | 50. | 30. | 30. |
| Carrier gas | H2 | He | Nitrogen | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.13 | 1. | 1.0 | |
| Tstart (C) | 40. | 60. | 40. | 40. | 40. |
| Tend (C) | 280. | 200. | 200. | 220. | 250. |
| Heat rate (K/min) | 3. | 4. | 2. | 3. | 3. |
| Initial hold (min) | 10. | 2. | 10. | ||
| Final hold (min) | 10. | 30. | |||
| I | 1595. | 1590. | 1578. | 1591. | 1578. |
| Reference | Bicalho, Pereira, et al., 2000 | Rapior, Konska, et al., 2000 | Tamura, Boonbumrung, et al., 2000 | Moio, Dekimpe, et al., 1993 | Peppard, 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | DB-1 | DB-1 |
| Column length (m) | 30. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 1.0 | 0.25 | 0.25 | ||
| Tstart (C) | 40. | 50. | 50. | 30. | 30. |
| Tend (C) | 250. | 240. | 240. | 210. | 210. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 2. |
| Initial hold (min) | 4. | 4. | |||
| Final hold (min) | 30. | ||||
| I | 1579. | 1578. | 1581. | 1578. | 1579. |
| Reference | Peppard, 1992 | Shiota, 1991 | Shiota, 1991 | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | Methyl Silicone | Methyl Silicone | SE-30 | OV-1 |
| Column length (m) | 30. | 25. | 25. | 183. | |
| Carrier gas | He | Helium | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.2 | 0.762 | |
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 40. | 80. | 80. | 70. | 0. |
| Tend (C) | 250. | 225. | 225. | 170. | 230. |
| Heat rate (K/min) | 2. | 4. | 4. | 2. | 1. |
| Initial hold (min) | |||||
| Final hold (min) | 20. | 20. | |||
| I | 1597. | 1578. | 1579. | 1570. | 1577. |
| Reference | Güntert, Rapp, et al., 1986 | Lorenz, Stern, et al., 1983 | Lorenz, Stern, et al., 1983 | Alves and Jennings, 1979 | Schreyen, Dirinck, et al., 1979 |
| 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.
Scrivanti, Anton, et al., 2009
Scrivanti, L.R.; Anton, A.M.; Zygadlo, J.A.,
Essential oil conposition of Bothriochloa Kuntze (Poaceae) from South America and their chemotaxonomy,
Biochem. Systematics Ecol., 2009, 37, 3, 206-213, https://doi.org/10.1016/j.bse.2009.03.009
. [all data]
Ouattara, Koudou, et al., 2007
Ouattara, L.; Koudou, J.; Obame, L.C.E.; Karou, D.S.; Traore, A.; Bessiere, J.M.,
Chemical composition and antibacterial activity of Cochlospermum planchoni Hook. f. ex Planch essential oil from Burkina Faso,
Pakistan J. Biol. Sci., 2007, 10, 22, 4177-4179, https://doi.org/10.3923/pjbs.2007.4177.4179
. [all data]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
. [all data]
Fan and Qian, 2006, 2
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
. [all data]
El-Sayed, Heppelthwaite, et al., 2005
El-Sayed, A.M.; Heppelthwaite, V.J.; Manning, L.M.; Gibb, A.R.; Suckling, D.M.,
Volatile constituents of fermented sugar baits and their attraction to lepidopteran species,
J. Agric. Food Chem., 2005, 53, 4, 953-958, https://doi.org/10.1021/jf048521j
. [all data]
Tesevic, Nikicevic, et al., 2005
Tesevic, V.; Nikicevic, N.; Jovanovic, A.; Djokovic, D.; Vujisic, L.; Vuckovic, I.; Bonic, M.,
Volatile components from old plum brandies,
Food Technol. Biotechnol., 2005, 43, 4, 367-372. [all data]
Krop, 2003
Krop, H.B.,
Thermodynamic approaches for the environmental chemistry of organic pollutants (Dissertation), 2003. [all data]
Ledauphin, Guichard, et al., 2003
Ledauphin, J.; Guichard, H.; Saint-Clair, J.-F.; Picoche, B.; Barillier, D.,
Chemical and sensorial aroma characterization of freshly distilled calvados. 2. Identification of volatile compounds and key odorants,
J. Agric. Food Chem., 2003, 51, 2, 433-442, https://doi.org/10.1021/jf020373e
. [all data]
Sies A., Hirsch R., et al., 2002
Sies A.; Hirsch R.; Löscher R.; Tablack P.; Guth H.,
Direct thermal desorption and Fast-GC-TOF-MS for a rapid quality control of hazelnuts, 10th Weurman Flavour Research Symposium, 24 - 28 June 2002, Beaune, France, 2002. [all data]
Palmeira, Conserva, et al., 2001
Palmeira, S.F., Jr.; Conserva, L.M.; Andrade, E.H.A.; Guilhon, G.M.S.P.,
Analysis by GC-MS of the hexane extract of the aerial parts of Aristolochia acutifolia Duchtr.,
Flavour Fragr. J., 2001, 16, 2, 85-88, https://doi.org/10.1002/1099-1026(200103/04)16:2<85::AID-FFJ948>3.0.CO;2-2
. [all data]
Bicalho, Pereira, et al., 2000
Bicalho, B.; Pereira, A.S.; Aquino Neto, F.R.; Pinto, A.C.; Rezende, C.M.,
Application of high-temperature gas chromatography-mass spectrometry to the investigation of glycosidically bound components related to cashew applie (Anacardium occidentale L. Var. nanum) volatiles,
J. Agric. Food Chem., 2000, 48, 4, 1167-1174, https://doi.org/10.1021/jf9909252
. [all data]
Rapior, Konska, et al., 2000
Rapior, S.; Konska, G.; Guillot, J.; Andary, C.; Bessiere, J.-M.,
Volatile composition of Laetiporus sulphureus,
Cryptogamie, Mycol., 2000, 21, 1, 67-72, https://doi.org/10.1016/S0181-1584(00)00109-3
. [all data]
Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
Food Sci. Technol. Res., 2000, 6, 1, 68-73, https://doi.org/10.3136/fstr.6.68
. [all data]
Moio, Dekimpe, et al., 1993
Moio, L.; Dekimpe, J.; Etievant, P.; Addeo, F.,
Neutral volatile compounds in the raw milks from different species,
J. Dairy Res., 1993, 60, 2, 199-213, https://doi.org/10.1017/S0022029900027515
. [all data]
Peppard, 1992
Peppard, T.L.,
Volatile flavor constituents of Monstera deliciosa,
J. Agric. Food Chem., 1992, 40, 2, 257-262, https://doi.org/10.1021/jf00014a018
. [all data]
Shiota, 1991
Shiota, H.,
Volatile components of pawpaw fruit (Asimina triloba Dunal.),
J. Agric. Food Chem., 1991, 39, 9, 1631-1635, https://doi.org/10.1021/jf00009a019
. [all data]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G.,
Volatile constituents of pineapple (Ananas Comosus [L.] Merr.)
in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [all data]
Güntert, Rapp, et al., 1986
Güntert, M.; Rapp, A.; Takeoka, G.R.; Jennings, W.,
HRGC and HRGC-MS applied to wine constituents of lower volatility,
Z. Lebensm. Unters. Forsch., 1986, 182, 3, 200-204, https://doi.org/10.1007/BF01042128
. [all data]
Lorenz, Stern, et al., 1983
Lorenz, G.; Stern, D.J.; Flath, R.A.; Haddon, W.F.; Tillin, S.J.; Teranishi, R.,
Identification of sheep liver volatiles,
J. Agric. Food Chem., 1983, 31, 5, 1052-1057, https://doi.org/10.1021/jf00119a033
. [all data]
Alves and Jennings, 1979
Alves, S.; Jennings, W.G.,
Volatile composition of certain Amazonian fruits,
Food Chem., 1979, 4, 2, 149-159, https://doi.org/10.1016/0308-8146(79)90039-6
. [all data]
Schreyen, Dirinck, et al., 1979
Schreyen, L.; Dirinck, P.; Sandra, P.; Schamp, N.,
Flavor analysis of quince,
J. Agric. Food Chem., 1979, 27, 4, 872-876, https://doi.org/10.1021/jf60224a058
. [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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