Pentanoic acid, ethyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChIKey: ICMAFTSLXCXHRK-UHFFFAOYSA-N
- CAS Registry Number: 539-82-2
- Chemical structure:
This structure is also available as a 2d Mol file - Isotopologues:
- Other names: Valeric acid, ethyl ester; Ethyl n-valerate; Ethyl pentanoate; Ethyl valerate; n-Valeric acid ethyl 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 | 5 % Phenyl methyl siloxane | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.53 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | |
Tstart (C) | 50. | 50. | 60. | 40. | 40. |
Tend (C) | 220. | 250. | 230. | 230. | 200. |
Heat rate (K/min) | 20. | 4. | 4. | 4. | 10. |
Initial hold (min) | 2. | 4. | 6. | 2. | 5. |
Final hold (min) | 2. | 10. | 10. | 15. | |
I | 902. | 898. | 902. | 904. | 929. |
Reference | Balbontin, Gaete-Eastman, et al., 2007 | Quijano, Salamanca, et al., 2007 | Campo, Ferreira, et al., 2006 | Fang and Qian, 2005 | Avsar, Karagul-Yuceer, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 8CB-MS | Ultra-2 | HP-5 | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 60. | 25. | 30. | 50. | 50. |
Carrier gas | H2 | N2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.4 | 0.4 |
Tstart (C) | 40. | 40. | 60. | 60. | 60. |
Tend (C) | 280. | 280. | 220. | 280. | 280. |
Heat rate (K/min) | 4. | 3. | 5. | 3. | 3. |
Initial hold (min) | 2. | 2. | 10. | 10. | 10. |
Final hold (min) | 5. | 10. | 60. | 60. | |
I | 901. | 898. | 901. | 881. | 881. |
Reference | Hierro, de la Hoz, et al., 2004 | Ceva-Antunes, Bizzo, et al., 2003 | Emilio Tomei, Manganelli, et al., 2003 | Pino and Marbot, 2001 | Pino, Marbot, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed |
---|---|---|
Active phase | SE-30 | SE-30 |
Column length (m) | 25. | |
Carrier gas | N2 | |
Substrate | Celite | |
Column diameter (mm) | 0.33 | |
Phase thickness (μm) | ||
Tstart (C) | 100. | 75. |
Tend (C) | 320. | 228. |
Heat rate (K/min) | 6. | |
Initial hold (min) | ||
Final hold (min) | ||
I | 893. | 884. |
Reference | Korhonen, 1985 | van den Dool and Kratz, 1963 |
Comment | 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.
Balbontin, Gaete-Eastman, et al., 2007
Balbontin, C.; Gaete-Eastman, C.; Vergara, M.; Herrera, R.; Moya-Leon, M.A.,
Treatment with 1-MCP and the role of ethylene in aroma development of mountain papaya fruit,
Postharvest Biol. Technol., 2007, 43, 1, 67-77, https://doi.org/10.1016/j.postharvbio.2006.08.005
. [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]
Campo, Ferreira, et al., 2006
Campo, E.; Ferreira, V.; López, R.; Escudero, A.; Cacho, J.,
Identification of three novel compounds in wine by means of a laboratory-constructed multidimensional gas chromatographic system,
J. Chromatogr. A, 2006, 1122, 1-2, 202-208, https://doi.org/10.1016/j.chroma.2006.04.048
. [all data]
Fang and Qian, 2005
Fang, Y.; Qian, M.,
Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA),
Flavour Fragr. J., 2005, 20, 1, 22-29, https://doi.org/10.1002/ffj.1551
. [all data]
Avsar, Karagul-Yuceer, et al., 2004
Avsar, Y.K.; Karagul-Yuceer, Y.; Drake, M.A.; Singh, T.K.; Yoon, Y.; Cadwallader, K.R.,
Characterization of nutty flavor in cheddar cheese,
J. Dairy Sci., 2004, 87, 7, 1999-2010, https://doi.org/10.3168/jds.S0022-0302(04)70017-X
. [all data]
Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A.,
Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species,
Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001
. [all data]
Ceva-Antunes, Bizzo, et al., 2003
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Alves, S.M.; Antunes, O.A.C.,
Analysis of volatile compounds of taperebá (Spondias mombin L.) and Cajá (Spondias mombin L.) by simultaneous distillation and extraction (SDE) and solid phase microextraction (SPME),
J. Agric. Food Chem., 2003, 51, 5, 1387-1392, https://doi.org/10.1021/jf025873m
. [all data]
Emilio Tomei, Manganelli, et al., 2003
Emilio Tomei, P.; Manganelli, R.E.U.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Composition of the essential oil of Mentha microphylla from the Gennargentu Mountains (Sardinia, Italy),
J. Agric. Food Chem., 2003, 51, 12, 3614-3617, https://doi.org/10.1021/jf026091w
. [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]
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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