Acetic acid, butyl ester
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChI: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
- IUPAC Standard InChIKey: DKPFZGUDAPQIHT-UHFFFAOYSA-N
- CAS Registry Number: 123-86-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: n-Butyl acetate; Butyl acetate; Butyl ethanoate; 1-Butyl acetate; CH3COO(CH2)3CH3; Acetic acid n-butyl ester; n-Butyl ethanoate; Acetate de butyle; Butile(acetati di); Butylacetat; Butylacetaten; Butyle (acetate de); Butylester kyseliny octove; Butyl ester of acetic acid; 1-Acetoxybutane; 1-Butanol, acetate; Butyl ester, acetic acid; NSC 9298; Butile; Butyle; UN 1123
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Kovats' RI, polar column, temperature ramp
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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 | Supelcowax-10 | BP-20 | DB-Wax | Carbowax 20M |
| Column length (m) | 25. | 60. | 25. | 30. | 150. |
| Carrier gas | He | He | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.32 | 0.25 | 0.64 |
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 50. | 35. | 70. | 60. | 50. |
| Tend (C) | 200. | 200. | 200. | 200. | 170. |
| Heat rate (K/min) | 4. | 3. | 4. | 2. | 1. |
| Initial hold (min) | 5. | 5. | 2. | 10. | |
| Final hold (min) | 20. | ||||
| I | 1075. | 1086. | 1095. | 1078. | 1070. |
| Reference | Shimadzu, 2003 | Wong and Teng, 1994 | Wyllie and Leach, 1990 | Umano, Shoji, et al., 1986 | Buttery, Seifert, et al., 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | 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]
Wong and Teng, 1994
Wong, K.C.; Teng, Y.E.,
Volatile Components of Mimusops elengi L. Flowers,
J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425
. [all data]
Wyllie and Leach, 1990
Wyllie, S.G.; Leach, D.N.,
Aroma volatiles of Cucumis melo cv. golden crispy,
J. Agric. Food Chem., 1990, 38, 11, 2042-2044, https://doi.org/10.1021/jf00101a008
. [all data]
Umano, Shoji, et al., 1986
Umano, K.; Shoji, A.; Hagi, Y.; Shibamoto, T.,
Volatile constituents of peel of quince fruit, Cydonia oblonga Miller,
J. Agric. Food Chem., 1986, 34, 4, 593-596, https://doi.org/10.1021/jf00070a003
. [all data]
Buttery, Seifert, et al., 1982
Buttery, R.G.; Seifert, R.M.; Ling, L.C.; Soderstrom, E.L.; Ogawa, J.M.; Turnbaugh, J.G.,
Additional aroma components of honeydew melon,
J. Agric. Food Chem., 1982, 30, 6, 1208-1211, https://doi.org/10.1021/jf00114a051
. [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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