Propanoic acid
- Formula: C3H6O2
- Molecular weight: 74.0785
- IUPAC Standard InChIKey: XBDQKXXYIPTUBI-UHFFFAOYSA-N
- CAS Registry Number: 79-09-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Propionic acid; Carboxyethane; Ethanecarboxylic acid; Ethylformic acid; Luprisol; Luprosil; Metacetonic acid; Prozoin; Pseudoacetic acid; C2H5COOH; Methylacetic acid; Acide propionique; Kyselina propionova; Propionic acid grain preserver; Sentry grain preserver; Tenox P grain preservative; UN 1848; MonoProp; Antischim B; Propkorn; Propcorn; n-Propionic acid
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Van Den Dool and Kratz 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 | DB-FFAP | FFAP | HP-Innowax | Innowax | CP-Wax 52CB |
Column length (m) | 30. | 30. | 60. | 60. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 35. | 35. | 50. | 40. | 60. |
Tend (C) | 225. | 225. | 220. | 230. | 220. |
Heat rate (K/min) | 4. | 10. | 4. | 4. | 4. |
Initial hold (min) | 5. | 5. | 4. | 4. | 5. |
Final hold (min) | 30. | 25. | 10. | 20. | 30. |
I | 1534. | 1549. | 1526. | 1523. | 1536. |
Reference | Jarunrattanasri, Theerakulkait, et al., 2007 | Lozano P.R., Drake M., et al., 2007 | Quijano, Linares, et al., 2007 | Lee, Lee, et al., 2006 | Mahadevan and Farmer, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Supelcowax-10 | Stabilwax | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 30. | 60. | 60. |
Carrier gas | He | N2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 1. | 1. |
Tstart (C) | 50. | 35. | 40. | 45. | 45. |
Tend (C) | 220. | 195. | 230. | 250. | 250. |
Heat rate (K/min) | 4. | 6. | 4. | 5. | 5. |
Initial hold (min) | 4. | 5. | 2. | 1. | 1. |
Final hold (min) | 20. | 60. | 10. | 12. | 12. |
I | 1508. | 1487. | 1548. | 1540. | 1556. |
Reference | Osorio, Alarcon, et al., 2006 | Chung, Fung, et al., 2005 | Fang and Qian, 2005 | Malliaa, Fernandez-Garcia, et al., 2005 | Malliaa, Fernandez-Garcia, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | ZB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.5 | 0.25 |
Tstart (C) | 40. | 40. | 35. | 40. | 45. |
Tend (C) | 200. | 200. | 220. | 230. | 240. |
Heat rate (K/min) | 10. | 10. | 1.8 | 5. | 6. |
Initial hold (min) | 5. | 5. | 10. | 2. | 10. |
Final hold (min) | 15. | 15. | 10. | 10. | 30. |
I | 1498. | 1498. | 1527. | 1550. | 1564. |
Reference | Avsar, Karagul-Yuceer, et al., 2004 | Avsar, Karagul-Yuceer, et al., 2004 | Ledauphin, Saint-Clair, et al., 2004 | Mahajan, Goddik, et al., 2004 | Nielsen, Larsen, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | AT-Wax | DB-FFAP | DB-FFAP | Supelcowax-10 |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 65. | 35. | 35. | 50. |
Tend (C) | 240. | 250. | 200. | 200. | 230. |
Heat rate (K/min) | 3. | 2. | 10. | 10. | 3. |
Initial hold (min) | 10. | 10. | 5. | 5. | |
Final hold (min) | 30. | 60. | 30. | 30. | 30. |
I | 1528. | 1530. | 1498. | 1520. | 1555. |
Reference | Nielsen and Poll, 2004 | Pino, Almora, et al., 2003 | Karagül-Yüceer, Cadwallader, et al., 2002 | Karagül-Yüceer, Cadwallader, et al., 2002 | Moreira, Trugo, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | DB-Wax | DB-Wax | DB-Wax | FFAP |
Column length (m) | 30. | 30. | 30. | 15. | 60. |
Carrier gas | H2 | H2 | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.53 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 1. | 1. | 0.5 |
Tstart (C) | 40. | 40. | 40. | 40. | 50. |
Tend (C) | 240. | 210. | 210. | 220. | 230. |
Heat rate (K/min) | 5. | 3. | 3. | 5. | 5. |
Initial hold (min) | 2. | 3. | 3. | ||
Final hold (min) | 30. | 15. | |||
I | 1547. | 1533. | 1535. | 1574. | 1554. |
Reference | Charles, Martin, et al., 2000 | Moio, Piombino, et al., 2000 | Moio, Piombino, et al., 2000 | Peng, 2000 | Stephan and Steinhart, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 60. | 60. |
Carrier gas | H2 | H2 | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 20. | 50. | 50. |
Tend (C) | 210. | 210. | 200. | 230. | 230. |
Heat rate (K/min) | 3. | 3. | 4. | 3. | 2. |
Initial hold (min) | 5. | 4. | |||
Final hold (min) | 10. | 30. | |||
I | 1533. | 1535. | 1536. | 1535. | 1531. |
Reference | Moio and Addeo, 1998 | Moio and Addeo, 1998 | Ott, Fay, et al., 1997 | Shimoda, Peralta, et al., 1996 | Shiratsuchi, Shimoda, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | DB-Wax |
Column length (m) | 30. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.25 |
Phase thickness (μm) | |
Tstart (C) | 40. |
Tend (C) | 200. |
Heat rate (K/min) | 2. |
Initial hold (min) | 10. |
Final hold (min) | |
I | 1535. |
Reference | Umano, Hagi, et al., 1992 |
Comment | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Jarunrattanasri, Theerakulkait, et al., 2007
Jarunrattanasri, A.; Theerakulkait, C.; Cadwallader, K.R.,
Aroma Components of Acid-Hydrolyzed Vegetable Protein Made by Partial Hydrolysis of Rice Bran Protein,
J. Agric. Food Chem., 2007, 55, 8, 3044-3050, https://doi.org/10.1021/jf0631474
. [all data]
Lozano P.R., Drake M., et al., 2007
Lozano P.R.; Drake M.; Benitez D.; Cadwallader K.R.,
Instrumental and sensory characterization of heat-induced odorants in aseptically packaged soy milk,
J. Agric. Food Chem., 2007, 55, 8, 3018-3026, https://doi.org/10.1021/jf0631225
. [all data]
Quijano, Linares, et al., 2007
Quijano, C.E.; Linares, D.; Pino, J.A.,
Changes in volatile compounds of fermented cereza agria [Phyllanthus acidus (L.) Skeels] fruit,
Flavour Fragr. J., 2007, 22, 5, 392-394, https://doi.org/10.1002/ffj.1810
. [all data]
Lee, Lee, et al., 2006
Lee, S.-J.; Lee, J.-E.; Kim, H.-W.; Kim, S.-S.; Koh, K.-H.,
Development of Korean red wines using Vitis labrusca varieties: instrumental and sensory characterization,
Food Chem., 2006, 94, 3, 385-393, https://doi.org/10.1016/j.foodchem.2004.11.035
. [all data]
Mahadevan and Farmer, 2006
Mahadevan, K.; Farmer, L.,
Key Odor Impact Compounds in Three Yeast Extract Pastes,
J. Agric. Food Chem., 2006, 54, 19, 7242-7250, https://doi.org/10.1021/jf061102x
. [all data]
Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C.,
Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.),
J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c
. [all data]
Chung, Fung, et al., 2005
Chung, H.Y.; Fung, P.K.; Kim, J.-S.,
Aroma impact components in commercial plain sufu,
J. Agric. Food Chem., 2005, 53, 5, 1684-1691, https://doi.org/10.1021/jf048617d
. [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]
Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O.,
Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses,
Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007
. [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]
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Mahajan, Goddik, et al., 2004
Mahajan, S.S.; Goddik, L.; Qian, M.C.,
Aroma Compounds in Sweet Whey Powder,
J. Dairy Sci., 2004, 87, 12, 4057-4063, https://doi.org/10.3168/jds.S0022-0302(04)73547-X
. [all data]
Nielsen, Larsen, et al., 2004
Nielsen, G.S.; Larsen, L.M.; Poll, L.,
Impact of blanching and packaging atmosphere on the formation of aroma compounds during long-term frozen storage of leek (Allium ampeloprasum Var. Bulga) slices,
J. Agric. Food Chem., 2004, 52, 15, 4844-4852, https://doi.org/10.1021/jf049623c
. [all data]
Nielsen and Poll, 2004
Nielsen, G.S.; Poll, L.,
Determination of odor active aroma compounds in freshly cut leek (Allium ampeloprasum Var. Bulga) and in long-term stored frozen unblanched and blanched leek slices by gas chromatography olfactometry analysis,
J. Agric. Food Chem., 2004, 52, 6, 1642-1646, https://doi.org/10.1021/jf030682k
. [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]
Karagül-Yüceer, Cadwallader, et al., 2002
Karagül-Yüceer, Y.; Cadwallader, K.R.; Drake, M.A.,
Volatile flavor components of stored nonfat dry milk,
J. Agric. Food Chem., 2002, 50, 2, 305-312, https://doi.org/10.1021/jf010648a
. [all data]
Moreira, Trugo, et al., 2002
Moreira, R.F.A.; Trugo, L.C.; Pietroluongo, M.; de Maria, C.A.B.,
Flavor composition of cashew (Anacardium occidentale) and marmeleiro (Croton species) honeys,
J. Agric. Food Chem., 2002, 50, 26, 7616-7621, https://doi.org/10.1021/jf020464b
. [all data]
Charles, Martin, et al., 2000
Charles, M.; Martin, B.; Ginies, C.; Etievant, P.; Coste, G.; Guichard, E.,
Potent aroma compounds of two red wine vinegars,
J. Agric. Food Chem., 2000, 48, 1, 70-77, https://doi.org/10.1021/jf9905424
. [all data]
Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F.,
Odour-impact compounds of Gorgonzola cheese,
J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106
. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Stephan and Steinhart, 1999
Stephan, A.; Steinhart, H.,
Identification of character impact odorants of different soybean lecithins,
J. Agric. Food Chem., 1999, 47, 7, 2854-2859, https://doi.org/10.1021/jf981387g
. [all data]
Moio and Addeo, 1998
Moio, L.; Addeo, F.,
Grana Padano cheese aroma,
J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768
. [all data]
Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A.,
Determination and origin of the aroma impact compounds of yogurt flavor,
J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e
. [all data]
Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y.,
Headspace gas analysis of fish sauce,
J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u
. [all data]
Shiratsuchi, Shimoda, et al., 1993
Shiratsuchi, H.; Shimoda, M.; Minegishi, Y.; Osajima, Y.,
Isolation and identification of volatile flavor compounds in nonfermented coarse-cut sausage. Flavor as a quality factor of nonfermented sausage. 1,
J. Agric. Food Chem., 1993, 41, 4, 647-652, https://doi.org/10.1021/jf00028a027
. [all data]
Umano, Hagi, et al., 1992
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile constituents of green and ripened pineapple (Aanas comosus [L.] Merr.),
J. Agric. Food Chem., 1992, 40, 4, 599-603, https://doi.org/10.1021/jf00016a014
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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