2-Butanone
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChI: InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
- IUPAC Standard InChIKey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N
- CAS Registry Number: 78-93-3
- 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: Butan-2-one; Butanone; Ethyl methyl ketone; Ketone, methyl ethyl; Methyl ethyl ketone; MEK; C2H5COCH3; Acetone, methyl-; Aethylmethylketon; 3-Butanone; Butanone 2; Ethyl methyl cetone; Ethylmethylketon; Ketone, ethyl methyl; Meetco; Methyl acetone; Metiletilchetone; Metyloetyloketon; Rcra waste number U159; UN 1193; 2-Oxobutane; 2-Butanal; 2-butanone (MEK; methyl ethyl ketone); 2-butanone (MEK)
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Kovats' 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 | CBP-20 | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 25. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 40. | 40. | 40. | 40. |
| Tend (C) | 200. | 190. | 200. | 200. | 200. |
| Heat rate (K/min) | 4. | 3. | 3. | 3. | 2. |
| Initial hold (min) | 5. | 6. | 5. | 5. | 10. |
| Final hold (min) | |||||
| I | 905. | 881. | 900. | 900. | 893. |
| Reference | Shimadzu, 2003 | Shimoda and Shibamoto, 1990 | Tatsuka, Suekane, et al., 1990 | Tatsuka, Suekane, et al., 1990 | Umano and Shibamoto, 1987 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Packed |
|---|---|
| Active phase | PEG-20M |
| Column length (m) | 5.5 |
| Carrier gas | N2 |
| Substrate | Celite |
| Column diameter (mm) | |
| Phase thickness (μm) | |
| Tstart (C) | 70. |
| Tend (C) | 175. |
| Heat rate (K/min) | 10. |
| Initial hold (min) | 9. |
| Final hold (min) | |
| I | 908. |
| Reference | Galt and MacLeod, 1984 |
| Comment | MSDC-RI |
References
Go To: Top, Kovats' 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.
Shimadzu, 2003
Shimadzu,
Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]
Shimoda and Shibamoto, 1990
Shimoda, M.; Shibamoto, T.,
Isolation and identification of headspace volatiles from brewed coffee with an on-column GC/MS method,
J. Agric. Food Chem., 1990, 38, 3, 802-804, https://doi.org/10.1021/jf00093a045
. [all data]
Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H.,
Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling,
J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015
. [all data]
Umano and Shibamoto, 1987
Umano, K.; Shibamoto, T.,
Analysis of headspace volatiles from overheated beef fat,
J. Agric. Food Chem., 1987, 35, 1, 14-18, https://doi.org/10.1021/jf00073a004
. [all data]
Galt and MacLeod, 1984
Galt, A.M.; MacLeod, G.,
Headspace sampling of cooked beef aroma using Tenax GC,
J. Agric. Food Chem., 1984, 32, 1, 59-64, https://doi.org/10.1021/jf00121a016
. [all data]
Notes
Go To: Top, Kovats' 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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