Butanoic acid, 3-hydroxy-, butyl ester
- Formula: C8H16O3
- Molecular weight: 160.2108
- IUPAC Standard InChI: InChI=1S/C8H16O3/c1-3-4-5-11-8(10)6-7(2)9/h7,9H,3-6H2,1-2H3
- IUPAC Standard InChIKey: LHDWRKCOQQHAMP-UHFFFAOYSA-N
- CAS Registry Number: 53605-94-0
- 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: Butyl 3-hydroxybutyrate; Butyl 3-hydroxybutanoate
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Gas Chromatography
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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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1111. | Morales and Duque, 1987 | He, 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 60. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1078. | Adedeji, Hartman, et al., 1991 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 2. K/min, 280. C @ 10. min |
| Capillary | DB-1 | 1080. | Adedeji, Hartman, et al., 1991 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 2. K/min, 280. C @ 10. min |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-Wax | 1707. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 5. min, 5. K/min, 220. C @ 10. min |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1688. | Girard and Lau, 1995 | 90. m/0.25 mm/0.25 μm, He, 35. C @ 20. min, 2. K/min, 220. C @ 30. min |
| Capillary | Carbowax 20M | 1678. | Engel and Tressl, 1983 | 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1684. | Mayorga, Duque, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C (20min) |
| Capillary | DB-Wax | 1678. | Mayorga, Knapp, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) |
| Capillary | DB-Wax | 1684. | Mayorga, Knapp, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Morales and Duque, 1987
Morales, A.L.; Duque, C.,
Aroma constituents of the fruit of the moutain papaya (Carica pubescens) from Colombia,
J. Agric. Food Chem., 1987, 35, 4, 538-540, https://doi.org/10.1021/jf00076a024
. [all data]
Adedeji, Hartman, et al., 1991
Adedeji, J.; Hartman, T.G.; Rosen, R.T.; Ho, C.-T.,
Free and glycosidically bound aroma compounds in hog plum (Spondias mombins L.),
J. Agric. Food Chem., 1991, 39, 8, 1494-1497, https://doi.org/10.1021/jf00008a025
. [all data]
Ledauphin, Saint-Clair, et al., 2004
Ledauphin, J.; Saint-Clair, J.-F.; Lablanquie, O.; Guichard, H.; Founier, N.; Guichard, E.; Barillier, D.,
Identification of trace volatile compounds in freshly distilled calvados and cognac using preparative separations coupled with gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2004, 52, 16, 5124-5134, https://doi.org/10.1021/jf040052y
. [all data]
Girard and Lau, 1995
Girard, B.; Lau, O.L.,
Effect of maturity and storage on quality and volatile production of 'Jonagold' apples,
Food Res. Int., 1995, 28, 5, 465-471, https://doi.org/10.1016/0963-9969(96)81393-7
. [all data]
Engel and Tressl, 1983
Engel, K.-H.; Tressl, R.,
Studies on the volatile components of two mango varieties,
J. Agric. Food Chem., 1983, 31, 4, 796-801, https://doi.org/10.1021/jf00118a029
. [all data]
Mayorga, Duque, et al., 2002
Mayorga, H.; Duque, C.; Knapp, H.; Winterhalter, P.,
Hydroxyester disaccharides from fruits of cape gooseberry (Physalis peruviana),
Phytochemistry, 2002, 59, 4, 439-445, https://doi.org/10.1016/S0031-9422(01)00467-8
. [all data]
Mayorga, Knapp, et al., 2001
Mayorga, H.; Knapp, H.; Winterhalter, P.; Duque, C.,
Glycosidically bound flavor compounds of cape gooseberry (Physalis peruviana L.),
J. Agric. Food Chem., 2001, 49, 4, 1904-1908, https://doi.org/10.1021/jf0011743
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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