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
View 3d structure (requires JavaScript / HTML 5) - Other names: Butyl 3-hydroxybutyrate; Butyl 3-hydroxybutanoate
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- Other data available:
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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 |
|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | He | ||
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C (20min) | 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 | 1684. | 1678. | 1684. |
| Reference | Mayorga, Duque, et al., 2002 | 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.
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, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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