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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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 | RTx-1 | HP-5 MS | BPX-5 | HP-5 | HP-5MS |
| Column length (m) | 60. | 30. | 25. | 60. | 30. |
| Carrier gas | Helium | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.32 | 0.22 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 50. | 30. | 60. |
| Tend (C) | 230. | 240. | 300. | 260. | 285. |
| Heat rate (K/min) | 2. | 4. | 5. | 2. | 4.3 |
| Initial hold (min) | 2. | 5. | 2. | ||
| Final hold (min) | 35. | 10. | 28. | ||
| I | 1501. | 1523. | 1526. | 1526.8 | 1525. |
| Reference | Dib, Bendahou, et al., 2010 | Pino, Marquez, et al., 2010 | Dickschat, Bode, et al., 2005 | Leffingwell and Alford, 2005 | Tesevic, Nikicevic, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-1 | DB-5 | RSL-200 | SPB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | Helium | He | H2 | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 160. | 40. | 40. | 60. |
| Tend (C) | 240. | 252. | 290. | 280. | 250. |
| Heat rate (K/min) | 3. | 10. | 4. | 6. | 4. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 10. | 20. | |||
| I | 1521. | 1510. | 1533. | 1509. | 1525. |
| Reference | Tellez, Khan, et al., 2004 | Krop, 2003 | da Camara, Shepherd, et al., 2002 | Jirovetz, Smith, et al., 2002 | 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 | Optima-1 | Optima-1 | OV-101 | DB-1 | DB-1 |
| Column length (m) | 25. | 25. | 50. | 30. | 60. |
| Carrier gas | He | He | Nitrogen | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.20 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 50. | 40. | 70. | 50. |
| Tend (C) | 250. | 250. | 200. | 300. | 240. |
| Heat rate (K/min) | 3. | 3. | 2. | 3. | 3. |
| Initial hold (min) | 3. | 3. | 10. | 5. | |
| Final hold (min) | |||||
| I | 1508. | 1508. | 1507. | 1505. | 1506. |
| Reference | Brun, Bessière, et al., 2001 | de Beck, Bessière, et al., 2000 | Tamura, Boonbumrung, et al., 2000 | Guy and Vernin, 1996 | Shiota, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-1 | SE-30 | SE-30 |
| Column length (m) | 60. | 50. | |
| Carrier gas | He | He | Helium |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.5 | |
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 50. | 40. | 70. |
| Tend (C) | 240. | 170. | 170. |
| Heat rate (K/min) | 3. | 3. | 2. |
| Initial hold (min) | 3. | ||
| Final hold (min) | |||
| I | 1509. | 1507. | 1510. |
| Reference | Shiota, 1991 | Heydanek and McGorrin, 1981 | Alves and Jennings, 1979 |
| Comment | 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.
Dib, Bendahou, et al., 2010
Dib, M.A.; Bendahou, M.; Bendiabdellah, A.; Djabou, N.; Allali, H.; Tabti, B.; Paolini, J.; Costa, J.,
Partial chemical composition and antimicrobial activity of Daucus crinitus Desf. extracts,
Grasas y Aceites, 2010, 61, 3, 271-278, https://doi.org/10.3989/gya.122609
. [all data]
Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D.,
Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028
. [all data]
Dickschat, Bode, et al., 2005
Dickschat, J.S.; Bode, H.B.; Kroppenstedt, R.M.; Müller, R.; Schulz, S.,
Biosynthesis of iso-fatty acids in myxobacteria,
Org. Biomol. Chem., 2005, 3, 15, 2824-2831, https://doi.org/10.1039/b504889c
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [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]
Tellez, Khan, et al., 2004
Tellez, M.R.; Khan, I.A.; Schaneberg, B.T.; Crockett, S.L.; Rimando, A.M.; Kobaisy, M.,
Steam distillation-solid-phase microextraction for the detection of Ephedra sinica in herbal preparations,
J. Chromatogr. A, 2004, 1025, 1, 51-56, https://doi.org/10.1016/S0021-9673(03)01035-5
. [all data]
Krop, 2003
Krop, H.B.,
Thermodynamic approaches for the environmental chemistry of organic pollutants (Dissertation), 2003. [all data]
da Camara, Shepherd, et al., 2002
da Camara, C.A.G.; Shepherd, S.L.K.; Joaquim, D.R.G.,
Análise químnica da cultura de tecidos do híbrido Clusia paralicola X Clusia weddelliana,
Revista Brasileira de Farmacognosia, 2002, 12, 26-28, https://doi.org/10.1590/S0102-695X2002000300013
. [all data]
Jirovetz, Smith, et al., 2002
Jirovetz, L.; Smith, D.; Buchbauer, G.,
Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry,
J. Agric. Food Chem., 2002, 50, 16, 4643-4646, https://doi.org/10.1021/jf020129n
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]
Brun, Bessière, et al., 2001
Brun, G.; Bessière, J.-M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile components of Catharanthus roseus (L.) G. Don (Apocynaceae),
Flavour Fragr. J., 2001, 16, 2, 116-119, https://doi.org/10.1002/ffj.958
. [all data]
de Beck, Bessière, et al., 2000
de Beck, P.O.; Bessière, J.M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile constituents from leaves and wood of Leea guineensis G. Don (Leeaceae) from Cameroon,
Flavour Fragr. J., 2000, 15, 3, 182-185, https://doi.org/10.1002/1099-1026(200005/06)15:3<182::AID-FFJ888>3.0.CO;2-X
. [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]
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]
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]
Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats,
J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016
. [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]
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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