Hexanoic acid, 3-hydroxy-, ethyl ester
- Formula: C8H16O3
- Molecular weight: 160.2108
- IUPAC Standard InChI: InChI=1S/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
- IUPAC Standard InChIKey: LYRIITRHDCNUHV-UHFFFAOYSA-N
- CAS Registry Number: 2305-25-1
- 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: Ethyl 3-hydroxyhexanoate; Ethyl hydroxy-3-hexanoate
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Normal alkane 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 | DB-Wax | DB-Wax | DB-Wax | HP-Innowax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | Helium | Helium | Hydrogen | Nitrogen | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Program | not specified | not specified | 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min) | 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C | 60C(2min) => 2C/min => 220C => 3C/min => 245C(20min) |
| I | 1674. | 1675. | 1696. | 1673. | 1677. |
| Reference | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Sampaio, Garruti, et al., 2011 | Quijano and Pino, 2006 | Selli, Cabaroglu, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | FFAP | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | He | ||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 230C (10min) | 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) | 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) |
| I | 1674. | 1670. | 1675. |
| Reference | Buettner and Schieberle, 2001 | Mayorga, Knapp, et al., 2001 | Mayorga, Knapp, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002
. [all data]
Sampaio, Garruti, et al., 2011
Sampaio, K.S.; Garruti, D.S.; Franco, M.R.B.; Janzantti, N.S.; Da Silva, M.A.AP.,
Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration,
J. Sci. Food Agric., 2011, 91, 10, 1801-1809, https://doi.org/10.1002/jsfa.4385
. [all data]
Quijano and Pino, 2006
Quijano, C.E.; Pino, J.A.,
Changes in volatile constituents during the ripening of cocona (Solanum sessiliflorum Dunal) fruit,
Revista CENIC Ciencias Quimicas, 2006, 37, 3, 133-136. [all data]
Selli, Cabaroglu, et al., 2003
Selli, s.; Cabaroglu, T.; Canbas, A.,
Flavour components of orange wine made from a Turkish cv. Kozan,
Int. J. Food Sci. Technol., 2003, 38, 5, 587-593, https://doi.org/10.1046/j.1365-2621.2003.00691.x
. [all data]
Buettner and Schieberle, 2001
Buettner, A.; Schieberle, P.,
Application of a comparative aroma extract dilution analysis to monitor changes in orange juice aroma compounds during processing,
Am. Chem. Soc. Symp. Ser., 2001, 782, 33-45. [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, Normal alkane RI, polar column, custom temperature program, References
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