Butanoic acid, methyl ester
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChI: InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
- IUPAC Standard InChIKey: UUIQMZJEGPQKFD-UHFFFAOYSA-N
- CAS Registry Number: 623-42-7
- 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. - Other names: Butyric acid, methyl ester; Methyl butanoate; Methyl butyrate; Methyl n-butyrate; n-C3H7COOCH3; n-Butyric acid methyl ester; Methyl n-butanoate; UN 1237; Methyl ester of butanoic acid; NSC 9380
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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 | Supelcowax-10 | Stabilwax | Stabilwax | Stabilwax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | 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. |
| Program | 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) | 40C(1min) => 10C/min => 120C => 15C/min => 200C (1min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) |
| I | 982. | 987. | 989. | 995. | 973. |
| Reference | Bianchi, Careri, et al., 2007 | Bianchi, Careri, et al., 2007 | Wang, Finn, et al., 2005 | Wang, Finn, et al., 2005 | Klesk and Qian, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | HP-Innowax | Supelcowax-10 | FFAP |
| Column length (m) | 60. | 60. | 50. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 32C(1.5min) => 3C/min => 40C (10min) => 3C/min => 200C (10min) | 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min) | 20C (5min) => 2C/min => 70C => 4C/min => 210C |
| I | 1001. | 965. | 971. |
| Reference | Iversen, Jakobsen, et al., 1998 | Cadwallader and Xu, 1994 | Yasuhara, 1987 |
| Comment | MSDC-RI | 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]
Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C.,
Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis,
J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m
. [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]
Iversen, Jakobsen, et al., 1998
Iversen, C.K.; Jakobsen, H.B.; Olsen, C.-E.,
Aroma changes during black currant (Ribes nigrum L.) nectar processing,
J. Agric. Food Chem., 1998, 46, 3, 1132-1136, https://doi.org/10.1021/jf970513y
. [all data]
Cadwallader and Xu, 1994
Cadwallader, K.R.; Xu, Y.,
Analysis of volatile components in fresh grapefruit juice by purge and trap/gas chromatography,
J. Agric. Food Chem., 1994, 42, 3, 782-784, https://doi.org/10.1021/jf00039a036
. [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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