Butanoic acid, 3-hydroxy-, ethyl ester
- Formula: C6H12O3
- Molecular weight: 132.1577
- IUPAC Standard InChI: InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3
- IUPAC Standard InChIKey: OMSUIQOIVADKIM-UHFFFAOYSA-N
- CAS Registry Number: 5405-41-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Ethyl β-hydroxybutyrate; Ethyl 3-hydroxybutyrate; CH3CH(OH)CH2C(O)OC2H5; dl-β-Hydroxy-n-butyric acid ethyl ester; Ethyl-dl-β-hydroxy n-butyrate; DL-3-Hydroxy-n-butyrate ethyl ester; Butanoic acid, 3-hydroxy-, ethyl ester, (.+/-.)-; Ethyl DL-3-hydroxybutyrate; Ethyl beta-hydroxybutyrate; Butyric acid, 3-hydroxy-, ethyl ester; Butyric acid, β-hydroxy-, ethyl ester; NSC 42916; NSC 8115; Ethyl 3-hydroxybutanoate; Ethyl-dl-beta-hydroxy n-butyrate
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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-5MS | DB-5MS | DB-5MS | SE-52 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | H2 | He | H2/N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.40 |
| Program | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min) | 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min) | 40C (5min) => 2C/min => 200C => 5C/min => 250C (15min) | 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
| I | 964. | 913. | 915. | 911. | 933. |
| Reference | Wang, Finn, et al., 2005 | Boulanger and Crouzet, 2001 | Boulanger and Crouzet, 2000 | Boulanger and Crouzet, 2000, 2 | Mondello, Dugo, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | 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.
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]
Boulanger and Crouzet, 2001
Boulanger, R.; Crouzet, J.,
Identification of the aroma components of acerola (Malphigia glabra L.): free and bound flavor compounds,
Food Chem., 2001, 74, 2, 209-216, https://doi.org/10.1016/S0308-8146(01)00128-5
. [all data]
Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J.,
Free and bound flavour components of Amazonian fruits: 2. cupuacu volatile compounds,
Flavour Fragr. J., 2000, 15, 4, 251-257, https://doi.org/10.1002/1099-1026(200007/08)15:4<251::AID-FFJ905>3.0.CO;2-2
. [all data]
Boulanger and Crouzet, 2000, 2
Boulanger, R.; Crouzet, J.,
Free and bound flavour components of Amazonian fruits: 3-glycosidically bound components of cupuacu,
Food Chem., 2000, 70, 4, 463-470, https://doi.org/10.1016/S0308-8146(00)00112-6
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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