Hexadecanoic acid, ethyl ester
- Formula: C18H36O2
- Molecular weight: 284.4772
- IUPAC Standard InChI: InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
- IUPAC Standard InChIKey: XIRNKXNNONJFQO-UHFFFAOYSA-N
- CAS Registry Number: 628-97-7
- 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: Palmitic acid, ethyl ester; Ethyl hexadecanoate; Ethyl palmitate; Ethyl n-hexadecanoate; Ethyl hexadecanoate (Ethyl palmitate)
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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 | HP-5 | DB-5 | SPB-1 | DB-5 | HP-5 |
| Column length (m) | 30. | 25. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 50. | 50. | 60. |
| Tend (C) | 250. | 200. | 250. | 250. | 220. |
| Heat rate (K/min) | 4. | 2. | 5. | 5. | 5. |
| Initial hold (min) | 4. | 3. | 3. | 10. | |
| Final hold (min) | 10. | 60. | 15. | 15. | |
| I | 1994. | 1992. | 1968. | 1990. | 1994. |
| Reference | Quijano, Salamanca, et al., 2007 | Rout, Rao, et al., 2007 | Blagojevic, Radulovic, et al., 2006 | Blagojevic, Radulovic, et al., 2006 | Flamini, Tebano, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5MS | HP-5MS | HP-5MS | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 80. | 80. | 80. |
| Tend (C) | 260. | 250. | 290. | 290. | 290. |
| Heat rate (K/min) | 3. | 4. | 2. | 4. | 6. |
| Initial hold (min) | 2. | ||||
| Final hold (min) | 20. | ||||
| I | 1990. | 1993. | 1996. | 1995.7 | 1995.7 |
| Reference | Javidnia, Miri, et al., 2005 | Pino, Mesa, et al., 2005 | Zhao, Liang, et al., 2005 | Zhao, Liang, et al., 2005 | Zhao, Liang, 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 | HP-1 | HP-5MS | CP Sil 5 CB | SPB-5 |
| Column length (m) | 30. | 50. | 60. | 60. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 60. | 60. |
| Tend (C) | 250. | 250. | 310. | 280. | 250. |
| Heat rate (K/min) | 4. | 2. | 3. | 3. | 4. |
| Initial hold (min) | 2. | 5. | 1. | 10. | 2. |
| Final hold (min) | 20. | 20. | 20. | 60. | 20. |
| I | 1993. | 1966. | 1997. | 1980. | 1993. |
| Reference | Pino, Marbot, et al., 2004 | Cavalli, Fernandez, et al., 2003 | Lalel, Singh, et al., 2003 | Pino, Almora, et al., 2003 | Pino, Marbot, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | CP Sil 5 CB | HP-5MS | CP Sil 5 CB | CP Sil 5 CB |
| Column length (m) | 30. | 50. | 30. | 50. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.4 | 0.25 | 0.4 | 0.4 |
| Tstart (C) | 50. | 60. | 50. | 60. | 60. |
| Tend (C) | 280. | 280. | 250. | 280. | 280. |
| Heat rate (K/min) | 3. | 3. | 5. | 3. | 3. |
| Initial hold (min) | 5. | 10. | 2. | 10. | 10. |
| Final hold (min) | 60. | 5. | 60. | 60. | |
| I | 1978. | 1983. | 1993. | 1981. | 1981. |
| Reference | Demetzos, Angelopoulou, et al., 2002 | Pino, Marbot, et al., 2002 | Shang, Hu, et al., 2002 | Pino and Marbot, 2001 | Pino, Marbot, et al., 2001 |
| 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-5 | OV-1 | SE-30 |
| Column length (m) | 30. | 30. | 30. | 25. | 25. |
| Carrier gas | He | He | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.2 | 0.25 | 0.32 | 0.33 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 50. | 50. | 50. | 40. | 100. |
| Tend (C) | 300. | 300. | 250. | 280. | 320. |
| Heat rate (K/min) | 5. | 5. | 4. | 8. | 6. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 5. | 5. | 10. | ||
| I | 1975. | 1980. | 1991. | 1970. | 1978. |
| Reference | Johnson, Urso, et al., 1997 | Johnson, Urso, et al., 1997 | Gómez, Ledbetter, et al., 1993 | Tan, Holland, et al., 1988 | Korhonen, 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed |
|---|---|
| Active phase | SE-30 |
| Column length (m) | |
| Carrier gas | |
| Substrate | Celite |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Tstart (C) | 75. |
| Tend (C) | 228. |
| Heat rate (K/min) | |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1979. |
| Reference | van den Dool and Kratz, 1963 |
| Comment | 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.
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]
Rout, Rao, et al., 2007
Rout, P.K.; Rao, Y.R.; Sree., A.; Naik, S.N.,
Composition of essential oil, concrete, absolute, wax and headspace volatiles of Murrarya paniculata (Linn.) Jack flowers,
Flavour Fragr. J., 2007, 22, 5, 352-357, https://doi.org/10.1002/ffj.1804
. [all data]
Blagojevic, Radulovic, et al., 2006
Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G.,
Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris,
J. Agric. Food Chem., 2006, 54, 13, 4780-4789, https://doi.org/10.1021/jf060123o
. [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]
Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Kamalinejad, M.; Edraki, N.,
Chemical composition of Ferula persica Wild. essential oil from Iran,
Flavour Fragr. J., 2005, 20, 6, 605-606, https://doi.org/10.1002/ffj.1496
. [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]
Zhao, Liang, et al., 2005
Zhao, C.-X.; Liang, Y.-Z.; Fang, H.-Z.; Li, X.-N.,
Temperature-programmed retention indices for gas chromatography-mass spectroscopy analysis of plant essential oils,
J. Chromatogr. A, 2005, 1096, 1-2, 76-85, https://doi.org/10.1016/j.chroma.2005.09.067
. [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]
Cavalli, Fernandez, et al., 2003
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.,
Comparison of static headspace, headspace solid phase microextraction, headspace sorptive extraction, and direct thermal desorption techniques on chemical composition of French olive oils,
J. Agric. Food Chem., 2003, 51, 26, 7709-7716, https://doi.org/10.1021/jf034834n
. [all data]
Lalel, Singh, et al., 2003
Lalel, H.J.D.; Singh, Z.; Chye Tan, S.,
Glycosidically-bound aroma volatile compounds in the skin and pulp of 'Kensington Pride' mango fruit at different stages of maturity,
Postharvest Biol. Technol., 2003, 29, 2, 205-218, https://doi.org/10.1016/S0925-5214(02)00250-8
. [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]
Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D.,
A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece),
Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4
. [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]
Shang, Hu, et al., 2002
Shang, C.; Hu, Y.; Deng, C.; Hu, K.,
Rapid determination of volatile constituents of Michelia alba flowers by gas chromatography-mass spectrometry with solid-phase microextraction,
J. Chromatogr. A, 2002, 942, 1-2, 283-288, https://doi.org/10.1016/S0021-9673(01)01382-6
. [all data]
Pino and Marbot, 2001
Pino, J.A.; Marbot, R.,
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5880-5882, https://doi.org/10.1021/jf010270g
. [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]
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]
Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L.,
Volatile compounds in apricot, plum, and their interspecific hybrids,
J. Agric. Food Chem., 1993, 41, 10, 1669-1676, https://doi.org/10.1021/jf00034a029
. [all data]
Tan, Holland, et al., 1988
Tan, S.-T.; Holland, P.T.; Wilkins, A.L.; Molan, P.C.,
Extractives from New Zealand honeys. 1. White clovers, manuka, and kanuka unifloral honeys,
J. Agric. Food Chem., 1988, 36, 3, 453-460, https://doi.org/10.1021/jf00081a012
. [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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