Pentanoic acid, ethyl ester
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChI: InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
- 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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Normal alkane RI, 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 | Innowax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | 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) | 40. | 40. | 30. | 40. | 40. |
| Tend (C) | 250. | 230. | 210. | 230. | 230. |
| Heat rate (K/min) | 8. | 3. | 5. | 4. | 4. |
| Initial hold (min) | 1. | 2. | 2. | 2. | |
| Final hold (min) | 2.75 | 5. | 5. | 15. | |
| I | 1140. | 1142. | 1136. | 1128. | 1128. |
| Reference | Siristova, Prinosilova, et al., 2012 | Zhao, Xu, et al., 2009 | Kumazawa, Itobe, et al., 2008 | Xu, Fan, et al., 2007 | Fan and Qian, 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax Etr | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | N2 | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 230. | 220. | 200. | 230. | 200. |
| Heat rate (K/min) | 6. | 2. | 8. | 4. | 4. |
| Initial hold (min) | 2. | 1. | 3. | 2. | 5. |
| Final hold (min) | 15. | 10. | 20. | 5. | |
| I | 1133. | 1148. | 1116. | 1145. | 1170. |
| Reference | Fan and Qian, 2006, 2 | Perestrelo, Fernandes, et al., 2006 | Schirack, Drake, et al., 2006 | Fan and Qian, 2005 | Culleré, Escudero, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | PEG-20M | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M |
| Column length (m) | 50. | 30. | 30. | 60. | 60. |
| Carrier gas | H2 | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.20 | 0.5 | 0.5 | 0.5 | 0.5 |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 180. | 200. | 200. | 190. | 190. |
| Heat rate (K/min) | 3. | 4. | 4. | 2. | 2. |
| Initial hold (min) | 5. | 5. | 5. | 5. | 5. |
| Final hold (min) | 30. | 60. | 60. | ||
| I | 1135. | 1158. | 1147. | 1141. | 1141. |
| Reference | Narain, Almeida, et al., 2004 | Aznar, López, et al., 2001 | Ferreira, Aznar, et al., 2001 | Lopez, Ferreira, et al., 1999 | Ferreira, Lopez, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | Carbowax 20M | SP-1000 | DB-Wax | DB-Wax |
| Column length (m) | 80. | 25. | 60. | 60. |
| Carrier gas | N2 | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.2 | 0.2 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.43 | 0.25 | 0.25 | |
| Tstart (C) | 70. | 60. | 30. | 30. |
| Tend (C) | 170. | 190. | 180. | 180. |
| Heat rate (K/min) | 2. | 4. | 2. | 2. |
| Initial hold (min) | 4. | 4. | ||
| Final hold (min) | 30. | |||
| I | 1124. | 1138. | 1131. | 1132. |
| Reference | Anker, Jurs, et al., 1990 | De Llano D.G., Ramos M., et al., 1990 | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Siristova, Prinosilova, et al., 2012
Siristova, L.; Prinosilova, S.; Riddellova, K.; Hajslova, J.; Malzoch, K.,
Changes in quality parameters of vodka filtered through activated charcoal,
Czech J. Food Sci., 2012, 30, 5, 474-482. [all data]
Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
J. Food. Sci., 2009, 74, 2, c90-c99, https://doi.org/10.1111/j.1750-3841.2008.01029.x
. [all data]
Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T.,
A new approach to estimate the in-mouth release characteristics of odorants in chewing gum,
Food Science and Technology Research, 2008, 14, 3, 269-276, https://doi.org/10.3136/fstr.14.269
. [all data]
Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
. [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]
Perestrelo, Fernandes, et al., 2006
Perestrelo, R.; Fernandes, A.; Albuquerque, F.F.; Marques, J.C.; Camara, J.S.,
Analytical characterization of the aroma of Tinta Negra Mole red wine: Identification of the main odorants compounds,
Anal. Chim. Acta., 2006, 563, 1-2, 154-164, https://doi.org/10.1016/j.aca.2005.10.023
. [all data]
Schirack, Drake, et al., 2006
Schirack, A.V.; Drake, M.A.; Sander, T.H.; Sandeep, K.P.,
Characterization of aroma-active compounds in microwave blanched peanuts,
J. Food Sci., 2006, 71, 9, c513-c520, https://doi.org/10.1111/j.1750-3841.2006.00173.x
. [all data]
Fan and Qian, 2005
Fan, W.; Qian, M.C.,
Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k
. [all data]
Culleré, Escudero, et al., 2004
Culleré, L.; Escudero, A.; Cacho, J.; Ferreira, V.,
Gas chromatography-olfactometry and chemical quantitative study of the aroma of six premium auality Spanish aged red wines,
J. Agric. Food Chem., 2004, 52, 6, 1653-1660, https://doi.org/10.1021/jf0350820
. [all data]
Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S.,
Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique,
Cienc. Tecnol. Aliment. Campinas, 2004, 24, 2, 212-216, https://doi.org/10.1590/S0101-20612004000200009
. [all data]
Aznar, López, et al., 2001
Aznar, M.; López, R.; Cacho, J.F.; Ferreira, V.,
Identification and quantification of impact odorants of aged red wines from Rioja. GC-olfactometry, quantitative GC-MS, and odor evaluation of HPLC fractions,
J. Agric. Food Chem., 2001, 49, 6, 2924-2929, https://doi.org/10.1021/jf001372u
. [all data]
Ferreira, Aznar, et al., 2001
Ferreira, V.; Aznar, M.; López, R.; Cacho, J.,
Quantitative gas chromatography-olfactometry carried out at different dilutions of an extract. Differences in the odor profiles of four high-quality spanish aged red wines,
J. Agric. Food Chem., 2001, 49, 10, 4818-4824, https://doi.org/10.1021/jf010283u
. [all data]
Lopez, Ferreira, et al., 1999
Lopez, R.; Ferreira, V.; Hernandez, P.; Cacho, J.F.,
Identification of impact odorants of young red wines made with Merlot, Cabernet Sauvignon and Grenache grape varieties: a comparative study,
J. Sci. Food Agric., 1999, 79, 11, 1461-1467, https://doi.org/10.1002/(SICI)1097-0010(199908)79:11<1461::AID-JSFA388>3.0.CO;2-K
. [all data]
Ferreira, Lopez, et al., 1998
Ferreira, V.; Lopez, R.; Escudero, A.; Cacho, J.F.,
The Aroma of Red Wine: Hierarchy Grenache and Nature of its Main Odorants,
J. Sci. Food Agric., 1998, 77, 2, 259-267, https://doi.org/10.1002/(SICI)1097-0010(199806)77:2<259::AID-JSFA36>3.0.CO;2-Q
. [all data]
Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A.,
Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups,
Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006
. [all data]
De Llano D.G., Ramos M., et al., 1990
De Llano D.G.; Ramos M.; Polo C.; Sanz J.; Martinez-Castro I.,
Evolution of the volatile components of an artisanal blue cheese during ripening,
J. Dairy Sci., 1990, 73, 7, 1676-1683, https://doi.org/10.3168/jds.S0022-0302(90)78842-X
. [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]
Notes
Go To: Top, Normal alkane RI, 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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