Propanoic acid, ethyl ester
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChIKey: FKRCODPIKNYEAC-UHFFFAOYSA-N
- CAS Registry Number: 105-37-3
- 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: Propionic acid, ethyl ester; Ethyl propanoate; Ethyl propionate; Propionic ester; Propionic ether; C2H5COOC2H5; Propionate d'ethyle; Ethylester kyseliny propionove; UN 1195; Ethyl ester of propanoic acid; Ethyl n-propionate; n-Ethyl propanoate; NSC 8848
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Normal alkane RI, non-polar column, custom temperature program
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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | DB-5 | HP-5 MS | HP-5 |
Column length (m) | 60. | 30. | 60. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 1.00 | 0.25 | 0.25 | ||
Program | not specified | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) | 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) |
I | 726. | 733. | 699. | 714. | 714. |
Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Miyazaki, Plotto, et al., 2011 | Fan, Lu, et al., 2009 | Rotsatschakul, Visesanguan, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | HP-5 | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | |||
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 |
Program | 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) | not specified | 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) | not specified | 50C(1min) => 5C/min => 100C => 10C/min => 250C (9min) |
I | 710. | 712. | 711. | 709. | 708. |
Reference | Qiao, Xie, et al., 2008 | Qiao, Xie, et al., 2008 | Zhao, Li, et al., 2008 | Zhao, Li, et al., 2008 | Beaulieu and Lancaster, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | VB-5 | SE-30 | HP-5 | DB-5 |
Column length (m) | 60. | 60. | |||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | 1. | 0.25 | |||
Program | not specified | 35C(1min) => 4C/min => 175C => 10C/min => 260C | not specified | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) | 50C => 5C/min => 100C => 15C/min => 250C (19C) |
I | 692. | 707. | 692. | 708. | 708. |
Reference | Chen and Feng, 2007 | Karlshøj, Nielsen, et al., 2007 | Liu, Liang, et al., 2007 | Splivallo, Bossi, et al., 2007 | Beaulieu, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil5 CB MS | HP-5 | SPB-5 | SE-30 | HP-5 |
Column length (m) | 50. | 60. | 30. | 30. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 1.2 | 1. | 0.25 | 0.25 | |
Program | 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | not specified | 30C(3min) => 5C/min => 80C => 4C/min => 95C => 5C/min => 115C => 10C/min => 200C | not specified | 40C(6min) => 2.5C/min => 150C => 90C/min => 250C |
I | 703. | 705. | 714. | 691. | 709. |
Reference | Iraqi, Vermeulen, et al., 2005 | Thierry, Maillard, et al., 2005 | Crook, Boylston, et al., 2004 | Vinogradov, 2004 | Jordán, Margaría, 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 | DB-5 | HP-5 | HP-5 | Methyl Silicone |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | |
Program | 40C(5min) => 2C/min => 120C => 10C/min => 210C (30min) | 35C(4min) => 2C/min => 130C => 4C/min => 250C | not specified | 40C (6min) => 2.5C/min => 150C => 90C/min => 250C | not specified |
I | 705. | 709. | 709. | 709. | 692. |
Reference | Martí, Mestres, et al., 2003 | Qian and Reineccius, 2003 | Jordán, Goodner, et al., 2002 | Jordán, Margaría, et al., 2002 | N/A |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | Methyl Silicone | Methyl Silicone | SPB-1 | DB-5 |
Column length (m) | 30. | 60. | 50. | ||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.53 | 0.32 | ||
Phase thickness (μm) | 0.25 | 5. | 0.25 | ||
Program | 40C (6min) => 2.5C/min => 150C => 90C/min => 250C | not specified | not specified | 40C(6min) => 5C/min => 80C => 10C/min => 200C | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
I | 663. | 694. | 693. | 695. | 714. |
Reference | Jordán, Shaw, et al., 2001 | Estrada and Gutierrez, 1999 | Zenkevich, 1999 | Flanagan, Streete, et al., 1997 | Mateo and Zumalacárregui, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | SPB-1 | SPB-1 | DB-1 | DB-1 |
Column length (m) | 50. | 60. | 60. | 30. | 30. |
Carrier gas | He | Helium | Helium | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.53 | 0.53 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 5.0 | 5.0 | 0.25 | 0.25 |
Program | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) | 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C | not specified | 30C (2min) => 2C/min => 150C => 4C/min => 250C | 30C (2min) => 2C/min => 150C => 4C/min => 250C |
I | 715. | 695. | 679. | 692. | 693. |
Reference | Mateo and Zumalacárregui, 1996 | Strete, Ruprah, et al., 1992 | Strete, Ruprah, et al., 1992 | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | OV-101 | OV-101 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1 |
Column length (m) | 25. | 50. | 50. | |
Carrier gas | He | Hydrogen | ||
Substrate | ||||
Column diameter (mm) | 0.31 | 0.25 | 0.32 | |
Phase thickness (μm) | ||||
Program | not specified | not specified | not specified | not specified |
I | 691. | 691. | 691. | 679. |
Reference | Morales and Duque, 1987 | Shibamoto, 1987 | Waggott and Davies, 1984 | Ramsey and Flanagan, 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
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Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
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Fan, Lu, et al., 2009
Fan, G.; Lu, W.; Yao, X.; Zhang, Y.; Wang, K.; Pan, S.,
effect of fermentation on free and bound volatile compounds of orange juice,
Flavour Fragr. J., 2009, 24, 5, 219-229, https://doi.org/10.1002/ffj.1931
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Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S.,
Changes in volatile compounds during fermentation of nham (Thai fermented sausage),
Int. Food Res. J., 2009, 16, 391-414. [all data]
Qiao, Xie, et al., 2008
Qiao, Y.; Xie, B.J.; Zhang, Y.; Zhang, Y.; FAn, G.; Yao, X.L.; Pan, S.Y.,
Characterization of aroma active compounds in fruit juice and peel oil of Junchen sweet orange fruit (Citrus sinensis (L.) Osbeck) by GC-MS and GC-O,
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Zhao, Li, et al., 2008
Zhao, Y.; Li, J.; Xu, Y.; Duan, H.; Fan, W.; Zhao, G.,
EXtraction, preparation and identification of volatile compounds in Changyu XO brandy,
Chinese J. Chromatogr., 2008, 26, 2, 212-222, https://doi.org/10.1016/S1872-2059(08)60014-0
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Beaulieu and Lancaster, 2007
Beaulieu, J.C.; Lancaster, V.A.,
Correlating Volatile Compounds, Sensory Attributes, and Quality Parameters in Stored Fresh-Cut Cantaloupe,
J. Agric. Food Chem., 2007, 55, 23, 9503-9513, https://doi.org/10.1021/jf070282n
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Chen and Feng, 2007
Chen, Y.; Feng, C.,
QSPR study on gas chromatography retention index of some organic pollutants,
Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]
Karlshøj, Nielsen, et al., 2007
Karlshøj, K.; Nielsen, P.V.; Larsen, T.O.,
Prediction of Penicillium expansum Spoilage and Patulin Concentration in Apples Used for Apple Juice Production by Electronic Nose Analysis,
J. Agric. Food Chem., 2007, 55, 11, 4289-4298, https://doi.org/10.1021/jf070134x
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Liu, Liang, et al., 2007
Liu, F.; Liang, Y.; Cao, C.; Zhou, N.,
QSPR study of GC retention indices for saturated esters on seven stationary phases based on novel topological indices,
Talanta, 2007, 72, 4, 1307-1315, https://doi.org/10.1016/j.talanta.2007.01.038
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Splivallo, Bossi, et al., 2007
Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P.,
Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction,
Phytochemistry, 2007, 68, 20, 2584-2598, https://doi.org/10.1016/j.phytochem.2007.03.030
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Beaulieu, 2005
Beaulieu, J.C.,
Within-Season Volatile and Quality Differences in Stored Fresh-Cut Cantaloupe Cultivars,
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Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S.,
Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis,
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Thierry, Maillard, et al., 2005
Thierry, A.; Maillard, M.-B.; Bonnarme, P.; Roussel, E.,
The addition of Propionibacterium freudenreichii to raclette cheese induces biochemical changes and enhances flavor development,
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Crook, Boylston, et al., 2004
Crook, L.R.; Boylston, T.D.; Glatz, B.A.,
Effect of gas environment and sorbate addition on flavor characteristics of irradiated apple cider during storage,
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Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Jordán, Margaría, et al., 2003
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L.,
Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruid puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O,
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Martí, Mestres, et al., 2003
Martí, M.P.; Mestres, M.; Sala, C.; Busto, O.; Guasch, J.,
Solid-phase microextraction and gas chromatography olfactometry analysis of successively diluted samples. A new approach of the aroma extract dilution analysis applied to the characterization of wine aroma,
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Qian and Reineccius, 2003
Qian, M.; Reineccius, G.,
Potent aroma compounds in Parmigiano Reggiano cheese studied using a dynamic headspace (purge-trap) method,
Flavour Fragr. J., 2003, 18, 3, 252-259, https://doi.org/10.1002/ffj.1194
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Jordán, Goodner, et al., 2002
Jordán, M.J.; Goodner, K.L.; Shaw, P.E.,
Characterization of the aromatic profile in aqueous essence and fruit juice of yellow passion fruit (Passiflora edulis Sims F. Flavicarpa degner) by GC-MS and GC/O,
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Jordán, Margaría, et al., 2002
Jordán, M.J.; Margaría, C.A.; Shaw, P.E.; Goodner, K.L.,
Aroma active components in aqueous kiwi fruit essence and kiwi fruit puree by GC-MS and multidimensional GC/GC-O,
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Jordán, Shaw, et al., 2001
Jordán, M.J.; Shaw, P.E.; Goodner, K.L.,
Volatile components in aqueous essence and fresh fruit of Cucumis melo cv. Athena (muskmelon) by GC-MS and GC-O,
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Estrada and Gutierrez, 1999
Estrada, E.; Gutierrez, Y.,
Modeling chromatographic parameters by a novel graph theoretical sub-structural approach,
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Zenkevich, 1999
Zenkevich, I.G.,
Mutual Correlation between Gas-Chromatographic Retention Indices of Organic Compounds from Different Series,
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Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Mateo and Zumalacárregui, 1996
Mateo, J.; Zumalacárregui, J.M.,
Volatile compounds in chorizo and their changes during ripening,
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Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
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Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W.,
Nectarine volatiles: vacuum steam distillation versus headspace sampling,
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Morales and Duque, 1987
Morales, A.L.; Duque, C.,
Aroma constituents of the fruit of the moutain papaya (Carica pubescens) from Colombia,
J. Agric. Food Chem., 1987, 35, 4, 538-540, https://doi.org/10.1021/jf00076a024
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Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
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Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J.,
Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse,
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Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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