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, 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 | Supelcowax-10 | Stabilwax | FFAP | DB-Wax | CP-Wax 52CB |
Column length (m) | 30. | 30. | 60. | 60. | 60. |
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 | 0.5 | 0.25 | 0.25 |
Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 40C => 3C/min => 100C => 5C/min => 240C(10min) | 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min) | 35C(0.7min) => 20C/min => 70C => 4C/min => 240C | 45C(5min) => 10C/min => 80C => 2C/min => 240C |
I | 1554. | 1547. | 1565. | 1528. | 1548. |
Reference | Bianchi, Careri, et al., 2007 | Natali N., Chinnici F., et al., 2006 | Ranau and Steinhart, 2005 | Ferrari, Lablanquie, et al., 2004 | Verzera, Ziino, et al., 2004 |
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-FFAP | DB-Wax | FFAP |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | |
Program | 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min) | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 35C(2min) => 40C/min => 60C (2min) => 5C/min => 240C | 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min) | 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min) |
I | 1525. | 1534. | 1524. | 1544. | 1533. |
Reference | Huynh-Ba, Matthey-Doret, et al., 2003 | Pennarun, Prost, et al., 2003 | Rychlik and Bosset, 2001 | Ziegleder, 2001 | Zimmermann and Schieberle, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | FFAP | FFAP |
Column length (m) | 30. | 50. |
Carrier gas | He | He |
Substrate | ||
Column diameter (mm) | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 |
Program | 40C (2min) => 40C/min => 60C (2min) => 240C (10min) | 20C (5min) => 2C/min => 70C => 4C/min => 210C |
I | 1528. | 1551. |
Reference | Münch, Hofmann, et al., 1997 | Yasuhara, 1987 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M.,
Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness,
J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393
. [all data]
Natali N., Chinnici F., et al., 2006
Natali N.; Chinnici F.; Riponi C.,
Characterization of volatiles in extracts from oak chips obtained by accelerated solvent extraction (ASE),
J. Agric. Food Chem., 2006, 54, 21, 8190-8198, https://doi.org/10.1021/jf0614387
. [all data]
Ranau and Steinhart, 2005
Ranau, R.; Steinhart, H.,
Identification and evaluation of volatile odor-active pollutants from different odor emission sources in the food industry,
Eur. Food Res. Technol., 2005, 220, 2, 226-231, https://doi.org/10.1007/s00217-004-1073-4
. [all data]
Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E.,
Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation,
J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d
. [all data]
Verzera, Ziino, et al., 2004
Verzera, A.; Ziino, M.; Condurso, C.; Romeo, V.; Zappala, M.,
Solid-phase microextraction and gas chromatography-mass spectrometry for rapid characterisation of semi-hard cheeses,
Anal. Bioanal. Chem., 2004, 380, 7-8, 930-936, https://doi.org/10.1007/s00216-004-2879-4
. [all data]
Huynh-Ba, Matthey-Doret, et al., 2003
Huynh-Ba, T.; Matthey-Doret, W.; Fay, L.B.; Rhlid, R.B.,
Generation of thiols by biotransformation of cysteine-aldehyde conjugates with Baker's yeast,
J. Agric. Food Chem., 2003, 51, 12, 3629-3635, https://doi.org/10.1021/jf026198j
. [all data]
Pennarun, Prost, et al., 2003
Pennarun, A.-L.; Prost, C.; Haure, J.; Demaimay, M.,
Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas),
J. Agric. Food Chem., 2003, 51, 7, 2011-2018, https://doi.org/10.1021/jf020549c
. [all data]
Rychlik and Bosset, 2001
Rychlik, M.; Bosset, J.O.,
Flavour and off-flavour compoundsof SwissGruy ere cheese. Evaluation of potent odorants,
Int. Dairy J., 2001, 11, 11-12, 895-901, https://doi.org/10.1016/S0958-6946(01)00108-X
. [all data]
Ziegleder, 2001
Ziegleder, G.,
Odorous compounds in paperboard as influenced by recycled material and storage,
Packag. Technol. Sci., 2001, 14, 4, 131-136, https://doi.org/10.1002/pts.541
. [all data]
Zimmermann and Schieberle, 2000
Zimmermann, M.; Schieberle, P.,
Important odorants of sweet bell pepper powder (Capsicum annuum cv. annuum): differences between samples of Hungarian and Morrocan origin,
Eur. Food Res. Technol., 2000, 211, 3, 175-180, https://doi.org/10.1007/s002170050019
. [all data]
Münch, Hofmann, et al., 1997
Münch, P.; Hofmann, T.; Schieberle, P.,
Comparison of key odorants generated by thermal treatment of commercial and self-prepared yeast extracts: influence of the amino acid composition on odorant formation,
J. Agric. Food Chem., 1997, 45, 4, 1338-1344, https://doi.org/10.1021/jf960658p
. [all data]
Yasuhara, 1987
Yasuhara, A.,
Identification of Volatile Compounds in Poultry Manure by Gas Chromatography-Mass Spectrometry,
J. Chromatogr., 1987, 387, 371-378, https://doi.org/10.1016/S0021-9673(01)94539-X
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
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