Decanoic acid, methyl ester
- Formula: C11H22O2
- Molecular weight: 186.2912
- IUPAC Standard InChI: InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
- IUPAC Standard InChIKey: YRHYCMZPEVDGFQ-UHFFFAOYSA-N
- CAS Registry Number: 110-42-9
- 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: Capric acid methyl ester; Metholene 2095; Methyl caprate; Methyl caprinate; Methyl decanoate; Methyl-n-caprate; Uniphat A30; Methyl n-decanoate; n-Capric acid methyl ester
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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-5MS | RTX-5 | HP-5 |
| Column length (m) | 60. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 60. | 40. | 50. |
| Tend (C) | 230. | 220. | 280. | 300. | 250. |
| Heat rate (K/min) | 3. | 5. | 4. | 5. | 4. |
| Initial hold (min) | 2. | 10. | 5. | 2. | 5. |
| Final hold (min) | 10. | 10. | 15. | ||
| I | 1324. | 1327. | 1325. | 1325.1 | 1328. |
| Reference | Engel and Ratel, 2007 | Flamini, Tebano, et al., 2006 | Saroglou, Dorizas, et al., 2006 | Ádámová, Orinák, et al., 2005 | Mahattanatawee, Goodner, 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 | SPB-5 | SPB-5 | SPB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 250. | 250. | 250. | 250. | 280. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. | 3. |
| Initial hold (min) | 2. | 2. | 2. | 2. | 10. |
| Final hold (min) | 20. | 20. | 20. | 20. | 60. |
| I | 1326. | 1326. | 1325. | 1325. | 1309. |
| Reference | Pino, Mesa, et al., 2005 | Píno, Marbot, et al., 2004 | Pino, Marbot, et al., 2004 | Pino, Marbot, et al., 2004, 2 | 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 | SPB-5 | SPB-5 | CP Sil 5 CB | OV-1 | OV-1 |
| Column length (m) | 30. | 30. | 30. | 20. | 20. |
| Carrier gas | He | He | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.3 | 0.3 |
| Tstart (C) | 60. | 60. | 60. | 45. | 45. |
| Tend (C) | 250. | 250. | 280. | 220. | 220. |
| Heat rate (K/min) | 4. | 4. | 2. | 10. | 10. |
| Initial hold (min) | 2. | 2. | 10. | 5. | 5. |
| Final hold (min) | 20. | 20. | 40. | 10. | 10. |
| I | 1324. | 1326. | 1306. | 1312. | 1310. |
| Reference | Pino, Marbot, et al., 2003 | Pino, Marbot, et al., 2002 | Pino, Marbot, et al., 2002, 2 | Valero, Sanz, et al., 1999 | Valero, Sanz, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | DB-1 | DB-1 | Ultra-1 | SE-30 |
| Column length (m) | 50. | 30. | 30. | 50. | 22. |
| Carrier gas | He | H2 | H2 | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.32 | 0.30 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.52 | 1.0 |
| Tstart (C) | 140. | 50. | 35. | 35. | 60. |
| Tend (C) | 300. | 259. | 259. | 250. | |
| Heat rate (K/min) | 8. | 5. | 2. | 2. | 2. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 5. | ||||
| I | 1311.4 | 1307. | 1306.2 | 1306.6 | 1309. |
| Reference | Golovnya, Syomina, et al., 1997 | Johnson, Urso, et al., 1997 | Farkas, Le Quere, et al., 1994 | Farkas, Le Quere, et al., 1994 | de Frutos, Sanz, et al., 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SP-2100 | SP-2100 | SP-2100 | SP-2100 | SP-2100 |
| Column length (m) | |||||
| Carrier gas | H2 | H2 | H2 | H2 | H2 |
| Substrate | |||||
| Column diameter (mm) | |||||
| Phase thickness (μm) | |||||
| Tstart (C) | 170. | 170. | 170. | 170. | 170. |
| Tend (C) | |||||
| Heat rate (K/min) | 2. | 4. | 6. | 2. | 4. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1303.76 | 1309.67 | 1309.08 | 1320.62 | 1311.06 |
| Reference | Podmaniczky, Szepesy, et al., 1986 | Podmaniczky, Szepesy, et al., 1986 | Podmaniczky, Szepesy, et al., 1986 | Podmaniczky, Szepesy, et al., 1986 | Podmaniczky, Szepesy, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Packed |
|---|---|---|---|---|
| Active phase | SP-2100 | CP Sil 5 CB | DB-5 | SE-30 |
| Column length (m) | 30. | |||
| Carrier gas | H2 | H2 | He | |
| Substrate | Celite | |||
| Column diameter (mm) | 0.26 | |||
| Phase thickness (μm) | 0.25 | |||
| Tstart (C) | 170. | 170. | 50. | 75. |
| Tend (C) | 300. | 228. | ||
| Heat rate (K/min) | 6. | 4. | 6. | |
| Initial hold (min) | 4. | |||
| Final hold (min) | 20. | |||
| I | 1313.09 | 1306.48 | 1324. | 1310. |
| Reference | Podmaniczky, Szepesy, et al., 1986 | Podmaniczky, Szepesy, et al., 1986 | Rostad and Pereira, 1986 | 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]
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]
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L.,
Retention indices as identification tool in pyrolysis-capillary gas chromatography,
J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003
. [all data]
Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A.,
Volatile constituents and character impact compounds of selected Florida's tropical fruit,
Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [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]
Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C.,
Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba,
J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727
. [all data]
Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Vazquez, C.,
Volatile components of tamarind (Tamarindus indica L.) grown in Cuba,
J. Essent. Oil Res., 2004, 16, 4, 318-320, https://doi.org/10.1080/10412905.2004.9698731
. [all data]
Pino, Marbot, et al., 2004, 2
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]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [all data]
Pino, Marbot, et al., 2002, 2
Pino, J.A.; Marbot, R.; Bello, A.,
Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit,
J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303
. [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]
Golovnya, Syomina, et al., 1997
Golovnya, R.V.; Syomina, L.A.; Samusenko, A.L.,
Nonlinear variation of sorption parameters of n-alkane homologs in temperature-programmed gas chromatography (TPGC) and new equation for calculation of retention indices,
J. Hi. Res. Chromatogr., 1997, 20, 11, 611-614, https://doi.org/10.1002/jhrc.1240201108
. [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]
Farkas, Le Quere, et al., 1994
Farkas, P.; Le Quere, J.M.; Maarse, H.; Kovac, M.,
The standard GC retention index library of flavour compounds
in Trends in flavour research. Proceedings of the 7th Weurman Flavour Research Symposium, Maarse,H.; van der Heij,D.G., ed(s)., Weurman Flavour Research Symposium, Noordwijkerhout, Netherlands, 1994, 145-149. [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]
Podmaniczky, Szepesy, et al., 1986
Podmaniczky, L.; Szepesy, L.; Lakszner, K.; Schomburg, G.,
Determination of Retention Indices in LPTGC,
Chromatographia, 1986, 21, 7, 387-391, https://doi.org/10.1007/BF02346137
. [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]
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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