Acetic acid
- Formula: C2H4O2
- Molecular weight: 60.0520
- IUPAC Standard InChIKey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
- CAS Registry Number: 64-19-7
- 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. - Isotopologues:
- Other names: Ethanoic acid; Ethylic acid; Glacial acetic acid; Methanecarboxylic acid; Vinegar acid; CH3COOH; Acetasol; Acide acetique; Acido acetico; Azijnzuur; Essigsaeure; Octowy kwas; Acetic acid, glacial; Kyselina octova; UN 2789; Aci-jel; Shotgun; Ethanoic acid monomer; NSC 132953
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- Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 51 to 79
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Van Den Dool and Kratz 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 | DB-5 | DB-5 | DB-1 | DB-5 | SE-54 |
Column length (m) | 30. | 60. | 30. | 30. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | |
Program | not specified | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) | 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min) | 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C (5min) => 10C/min => 230C (5min) |
I | 600. | 599. | 594. | 600. | 605. |
Reference | Özel, Gögüs, et al., 2006 | Klesk and Qian, 2003 | Place, Imhof, et al., 2003 | Jezussek, Juliano, et al., 2002 | Tairu, Hofmann, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-54 | BPX-5 | SE-54 | SE-54 | SE-54 |
Column length (m) | 30. | 50. | 25. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.25 | 0.25 |
Program | 35C (2min) => 40C/min => 50C (2min) => 6C/min => 180C => 10C/min => 230C (10min) | OC (5min) => 60C/min => 60C(5min) => 4C/min => 250C | 35C (2min) => 4C/min => 150C => 10C/min => 240C | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10 min) | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min) |
I | 610. | 665. | 600. | 610. | 610. |
Reference | Buettner and Schieberle, 1999 | Bredie, Mottram, et al., 1998 | Fickert and Schieberle, 1998 | Hinterholzer, Lemos, et al., 1998 | Hinterholzer and Schieberie, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed |
---|---|---|---|
Active phase | SE-54 | Methyl Silicone | SE-30 |
Column length (m) | 30. | 3.05 | |
Carrier gas | He | ||
Substrate | Supelcoport; Chromosorb | ||
Column diameter (mm) | 0.32 | ||
Phase thickness (μm) | 0.25 | ||
Program | 40C (2min) => 40C/min => 50C (2min) => 240C (10min) | not specified | 40C(5min) => 10C/min => 200C or 250C (60min) |
I | 645. | 642. | 642. |
Reference | Münch, Hofmann, et al., 1997 | Peng, Yang, et al., 1991 | Peng, Ding, et al., 1988 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Özel, Gögüs, et al., 2006
Özel, M.Z.; Gögüs, F.; Lewis, A.C.,
Determination of Teucrium chamaedrys volatiles by using direct thermal desorption-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry,
J. Chromatogr. A, 2006, 1114, 1, 164-169, https://doi.org/10.1016/j.chroma.2006.02.036
. [all data]
Klesk and Qian, 2003
Klesk, K.; Qian, M.,
Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries,
J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209
. [all data]
Place, Imhof, et al., 2003
Place, R.B.; Imhof, M.; Teuber, M.; Olivier Bosset, J.,
Distribution of the volatile (flavour) compounds in Raclette cheese produced with different staphylococci in the smear,
Mitt. Lebensmittelunters. Hyg., 2003, 94, 192-211. [all data]
Jezussek, Juliano, et al., 2002
Jezussek, M.; Juliano, B.O.; Schieberle, P.,
Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analysis,
J. Agric. Food Chem., 2002, 50, 5, 1101-1105, https://doi.org/10.1021/jf0108720
. [all data]
Tairu, Hofmann, et al., 2000
Tairu, A.O.; Hofmann, T.; Schieberle, P.,
Studies on the key odorants formed by roasting of wild mango seeds (Irvingia gabonensis),
J. Agric. Food Chem., 2000, 48, 6, 2391-2394, https://doi.org/10.1021/jf990765u
. [all data]
Buettner and Schieberle, 1999
Buettner, A.; Schieberle, P.,
Characterization of the most odor-active volatiles in fresh, hand squeezed juice of grapefruit (Citrus paradise Macfayden),
J. Agric. Food Chem., 1999, 47, 12, 5189-5193, https://doi.org/10.1021/jf990071l
. [all data]
Bredie, Mottram, et al., 1998
Bredie, W.L.P.; Mottram, D.S.; Guy, R.C.E.,
Aroma volatiles generated during extrusion cooking of maize flour,
J. Agric. Food Chem., 1998, 46, 4, 1479-1487, https://doi.org/10.1021/jf9708857
. [all data]
Fickert and Schieberle, 1998
Fickert, B.; Schieberle, P.,
Identification of the key odorants in barley malt (caramalt) using GC/MS techniques and odour dilution analyses,
Nahrung, 1998, 42, 6, 371-375, https://doi.org/10.1002/(SICI)1521-3803(199812)42:06<371::AID-FOOD371>3.0.CO;2-V
. [all data]
Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P.,
Identification of the key odorants in raw French beans and changes during cooking,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322
. [all data]
Hinterholzer and Schieberie, 1998
Hinterholzer, A.; Schieberie, P.,
Identification of the most odour-active volatiles in fresh, hand-extracted juice of valencia late oranges by odour dilution techniques,
Flavour Fragr. J., 1998, 13, 1, 49-55, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<49::AID-FFJ691>3.0.CO;2-S
. [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]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D.,
Prediction of retention indexes. III. Silylated derivatives of polar compounds,
J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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